2-[[(2R)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-4-(quinolin-6-ylamino)pyrimidine-5-carboxamide;2-(benzotriazol-1-yloxy)-4-(quinolin-6-ylamino)pyrimidine-5-carboxamide;2-chloro-4-(quinolin-6-ylamino)pyrimidine-5-carboxylic acid;ethyl 2-chloro-4-(quinolin-6-ylamino)pyrimidine-5-carboxylate;ethyl 2,4-dichloropyrimidine-5-carboxylate;quinolin-6-amine — IUPAC name, SMILES, InChIKey & properties

Name: 2-[[(2R)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-4-(quinolin-6-ylamino)pyrimidine-5-carboxamide;2-(benzotriazol-1-yloxy)-4-(quinolin-6-ylamino)pyrimidine-5-carboxamide;2-chloro-4-(quinolin-6-ylamino)pyrimidine-5-carboxylic acid;ethyl 2-chloro-4-(quinolin-6-ylamino)pyrimidine-5-carboxylate;ethyl 2,4-dichloropyrimidine-5-carboxylate;quinolin-6-amine — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

About 2-[[(2R)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-4-(quinolin-6-ylamino)pyrimidine-5-carboxamide;2-(benzotriazol-1-yloxy)-4-(quinolin-6-ylamino)pyrimidine-5-carboxamide;2-chloro-4-(quinolin-6-ylamino)pyrimidine-5-carboxylic acid;ethyl 2-chloro-4-(quinolin-6-ylamino)pyrimidine-5-carboxylate;ethyl 2,4-dichloropyrimidine-5-carboxylate;quinolin-6-amine

2-[[(2R)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-4-(quinolin-6-ylamino)pyrimidine-5-carboxamide;2-(benzotriazol-1-yloxy)-4-(quinolin-6-ylamino)pyrimidine-5-carboxamide;2-chloro-4-(quinolin-6-ylamino)pyrimidine-5-carboxylic acid;ethyl 2-chloro-4-(quinolin-6-ylamino)pyrimidine-5-carboxylate;ethyl 2,4-dichloropyrimidine-5-carboxylate;quinolin-6-amine (PubChem CID 158447686) has the molecular formula C86H73Cl4N27O10 and a molecular weight of 1786.52 g/mol. Its IUPAC name is 2-[[(2R)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-4-(quinolin-6-ylamino)pyrimidine-5-carboxamide;2-(benzotriazol-1-yloxy)-4-(quinolin-6-ylamino)pyrimidine-5-carboxamide;2-chloro-4-(quinolin-6-ylamino)pyrimidine-5-carboxylic acid;ethyl 2-chloro-4-(quinolin-6-ylamino)pyrimidine-5-carboxylate;ethyl 2,4-dichloropyrimidine-5-carboxylate;quinolin-6-amine.

Molecular Properties

Compound Name	2-[[(2R)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-4-(quinolin-6-ylamino)pyrimidine-5-carboxamide;2-(benzotriazol-1-yloxy)-4-(quinolin-6-ylamino)pyrimidine-5-carboxamide;2-chloro-4-(quinolin-6-ylamino)pyrimidine-5-carboxylic acid;ethyl 2-chloro-4-(quinolin-6-ylamino)pyrimidine-5-carboxylate;ethyl 2,4-dichloropyrimidine-5-carboxylate;quinolin-6-amine
PubChem CID	158447686
Molecular Formula	C86H73Cl4N27O10
Molecular Weight	1786.52 g/mol
Exact Mass	1783.48
IUPAC Name	2-[[(2R)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-4-(quinolin-6-ylamino)pyrimidine-5-carboxamide;2-(benzotriazol-1-yloxy)-4-(quinolin-6-ylamino)pyrimidine-5-carboxamide;2-chloro-4-(quinolin-6-ylamino)pyrimidine-5-carboxylic acid;ethyl 2-chloro-4-(quinolin-6-ylamino)pyrimidine-5-carboxylate;ethyl 2,4-dichloropyrimidine-5-carboxylate;quinolin-6-amine
SMILES	CC(C)C[C@@H](Nc1ncc(C(N)=O)c(Nc2ccc3ncccc3c2)n1)C(N)=O.CCOC(=O)c1cnc(Cl)nc1Cl.CCOC(=O)c1cnc(Cl)nc1Nc1ccc2ncccc2c1.NC(=O)c1cnc(On2nnc3ccccc32)nc1Nc1ccc2ncccc2c1.Nc1ccc2ncccc2c1.O=C(O)c1cnc(Cl)nc1Nc1ccc2ncccc2c1
InChI	InChI=1S/C20H14N8O2.C20H23N7O2.C16H13ClN4O2.C14H9ClN4O2.C9H8N2.C7H6Cl2N2O2/c21-18(29)14-11-23-20(30-28-17-6-2-1-5-16(17)26-27-28)25-19(14)24-13-7-8-15-12(10-13)4-3-9-22-15;1-11(2)8-16(18(22)29)26-20-24-10-14(17(21)28)19(27-20)25-13-5-6-15-12(9-13)4-3-7-23-15;1-2-23-15(22)12-9-19-16(17)21-14(12)20-11-5-6-13-10(8-11)4-3-7-18-13;15-14-17-7-10(13(20)21)12(19-14)18-9-3-4-11-8(6-9)2-1-5-16-11;10-8-3-4-9-7(6-8)2-1-5-11-9;1-2-13-6(12)4-3-10-7(9)11-5(4)8/h1-11H,(H2,21,29)(H,23,24,25);3-7,9-11,16H,8H2,1-2H3,(H2,21,28)(H2,22,29)(H2,24,25,26,27);3-9H,2H2,1H3,(H,19,20,21);1-7H,(H,20,21)(H,17,18,19);1-6H,10H2;3H,2H2,1H3/t;16-;;;;/m.1..../s1
InChIKey	HDOYAIZOOUIZEE-PUEAJZKFSA-N
XLogP	15.13
TPSA	538.63 Å²
H-Bond Donors	10
H-Bond Acceptors	33
Rotatable Bonds	22
Heavy Atoms	127
Complexity	—

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1786.52
LogP ≤ 5	15.13
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 2-[[(2R)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-4-(quinolin-6-ylamino)pyrimidine-5-carboxamide;2-(benzotriazol-1-yloxy)-4-(quinolin-6-ylamino)pyrimidine-5-carboxamide;2-chloro-4-(quinolin-6-ylamino)pyrimidine-5-carboxylic acid;ethyl 2-chloro-4-(quinolin-6-ylamino)pyrimidine-5-carboxylate;ethyl 2,4-dichloropyrimidine-5-carboxylate;quinolin-6-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[[(2R)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-4-(quinolin-6-ylamino)pyrimidine-5-carboxamide;2-(benzotriazol-1-yloxy)-4-(quinolin-6-ylamino)pyrimidine-5-carboxamide;2-chloro-4-(quinolin-6-ylamino)pyrimidine-5-carboxylic acid;ethyl 2-chloro-4-(quinolin-6-ylamino)pyrimidine-5-carboxylate;ethyl 2,4-dichloropyrimidine-5-carboxylate;quinolin-6-amine?

The IUPAC name of 2-[[(2R)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-4-(quinolin-6-ylamino)pyrimidine-5-carboxamide;2-(benzotriazol-1-yloxy)-4-(quinolin-6-ylamino)pyrimidine-5-carboxamide;2-chloro-4-(quinolin-6-ylamino)pyrimidine-5-carboxylic acid;ethyl 2-chloro-4-(quinolin-6-ylamino)pyrimidine-5-carboxylate;ethyl 2,4-dichloropyrimidine-5-carboxylate;quinolin-6-amine (CID 158447686) is 2-[[(2R)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-4-(quinolin-6-ylamino)pyrimidine-5-carboxamide;2-(benzotriazol-1-yloxy)-4-(quinolin-6-ylamino)pyrimidine-5-carboxamide;2-chloro-4-(quinolin-6-ylamino)pyrimidine-5-carboxylic acid;ethyl 2-chloro-4-(quinolin-6-ylamino)pyrimidine-5-carboxylate;ethyl 2,4-dichloropyrimidine-5-carboxylate;quinolin-6-amine.

What is the SMILES notation for 2-[[(2R)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-4-(quinolin-6-ylamino)pyrimidine-5-carboxamide;2-(benzotriazol-1-yloxy)-4-(quinolin-6-ylamino)pyrimidine-5-carboxamide;2-chloro-4-(quinolin-6-ylamino)pyrimidine-5-carboxylic acid;ethyl 2-chloro-4-(quinolin-6-ylamino)pyrimidine-5-carboxylate;ethyl 2,4-dichloropyrimidine-5-carboxylate;quinolin-6-amine?

The canonical SMILES for 2-[[(2R)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-4-(quinolin-6-ylamino)pyrimidine-5-carboxamide;2-(benzotriazol-1-yloxy)-4-(quinolin-6-ylamino)pyrimidine-5-carboxamide;2-chloro-4-(quinolin-6-ylamino)pyrimidine-5-carboxylic acid;ethyl 2-chloro-4-(quinolin-6-ylamino)pyrimidine-5-carboxylate;ethyl 2,4-dichloropyrimidine-5-carboxylate;quinolin-6-amine is CC(C)C[C@@H](Nc1ncc(C(N)=O)c(Nc2ccc3ncccc3c2)n1)C(N)=O.CCOC(=O)c1cnc(Cl)nc1Cl.CCOC(=O)c1cnc(Cl)nc1Nc1ccc2ncccc2c1.NC(=O)c1cnc(On2nnc3ccccc32)nc1Nc1ccc2ncccc2c1.Nc1ccc2ncccc2c1.O=C(O)c1cnc(Cl)nc1Nc1ccc2ncccc2c1.

What is the InChIKey of 2-[[(2R)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-4-(quinolin-6-ylamino)pyrimidine-5-carboxamide;2-(benzotriazol-1-yloxy)-4-(quinolin-6-ylamino)pyrimidine-5-carboxamide;2-chloro-4-(quinolin-6-ylamino)pyrimidine-5-carboxylic acid;ethyl 2-chloro-4-(quinolin-6-ylamino)pyrimidine-5-carboxylate;ethyl 2,4-dichloropyrimidine-5-carboxylate;quinolin-6-amine?

The InChIKey is HDOYAIZOOUIZEE-PUEAJZKFSA-N. The full InChI is InChI=1S/C20H14N8O2.C20H23N7O2.C16H13ClN4O2.C14H9ClN4O2.C9H8N2.C7H6Cl2N2O2/c21-18(29)14-11-23-20(30-28-17-6-2-1-5-16(17)26-27-28)25-19(14)24-13-7-8-15-12(10-13)4-3-9-22-15;1-11(2)8-16(18(22)29)26-20-24-10-14(17(21)28)19(27-20)25-13-5-6-15-12(9-13)4-3-7-23-15;1-2-23-15(22)12-9-19-16(17)21-14(12)20-11-5-6-13-10(8-11)4-3-7-18-13;15-14-17-7-10(13(20)21)12(19-14)18-9-3-4-11-8(6-9)2-1-5-16-11;10-8-3-4-9-7(6-8)2-1-5-11-9;1-2-13-6(12)4-3-10-7(9)11-5(4)8/h1-11H,(H2,21,29)(H,23,24,25);3-7,9-11,16H,8H2,1-2H3,(H2,21,28)(H2,22,29)(H2,24,25,26,27);3-9H,2H2,1H3,(H,19,20,21);1-7H,(H,20,21)(H,17,18,19);1-6H,10H2;3H,2H2,1H3/t;16-;;;;/m.1..../s1.

What are the key properties of 2-[[(2R)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-4-(quinolin-6-ylamino)pyrimidine-5-carboxamide;2-(benzotriazol-1-yloxy)-4-(quinolin-6-ylamino)pyrimidine-5-carboxamide;2-chloro-4-(quinolin-6-ylamino)pyrimidine-5-carboxylic acid;ethyl 2-chloro-4-(quinolin-6-ylamino)pyrimidine-5-carboxylate;ethyl 2,4-dichloropyrimidine-5-carboxylate;quinolin-6-amine?

Where does this data come from?

All data for 2-[[(2R)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-4-(quinolin-6-ylamino)pyrimidine-5-carboxamide;2-(benzotriazol-1-yloxy)-4-(quinolin-6-ylamino)pyrimidine-5-carboxamide;2-chloro-4-(quinolin-6-ylamino)pyrimidine-5-carboxylic acid;ethyl 2-chloro-4-(quinolin-6-ylamino)pyrimidine-5-carboxylate;ethyl 2,4-dichloropyrimidine-5-carboxylate;quinolin-6-amine is sourced from PubChem (CID 158447686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).