2-[(2-aminocyclohexyl)amino]-4-methoxy-6-[3-(triazol-2-yl)anilino]pyrimidine-5-carboxamide

C20H25N9O2 — CID 75040568

IUPAC2-[(2-aminocyclohexyl)amino]-4-methoxy-6-[3-(triazol-2-yl)anilino]pyrimidine-5-carboxamide
SMILESCOc1nc(NC2CCCCC2N)nc(Nc2cccc(-n3nccn3)c2)c1C(N)=O
InChIInChI=1S/C20H25N9O2/c1-31-19-16(17(22)30)18(27-20(28-19)26-15-8-3-2-7-14(15)21)25-12-5-4-6-13(11-12)29-23-9-10-24-29/h4-6,9-11,14-15H,2-3,7-8,21H2,1H3,(H2,22,30)(H2,25,26,27,28)
InChIKeyYZHPKTPZDZPYSH-UHFFFAOYSA-N
MW423.48 g/mol
LogP1.59
Rot. Bonds7

About 2-[(2-aminocyclohexyl)amino]-4-methoxy-6-[3-(triazol-2-yl)anilino]pyrimidine-5-carboxamide

2-[(2-aminocyclohexyl)amino]-4-methoxy-6-[3-(triazol-2-yl)anilino]pyrimidine-5-carboxamide (PubChem CID 75040568) has the molecular formula C20H25N9O2 and a molecular weight of 423.48 g/mol. Its IUPAC name is 2-[(2-aminocyclohexyl)amino]-4-methoxy-6-[3-(triazol-2-yl)anilino]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-[(2-aminocyclohexyl)amino]-4-methoxy-6-[3-(triazol-2-yl)anilino]pyrimidine-5-carboxamide
PubChem CID75040568
Molecular FormulaC20H25N9O2
Molecular Weight423.48 g/mol
Exact Mass423.21
IUPAC Name2-[(2-aminocyclohexyl)amino]-4-methoxy-6-[3-(triazol-2-yl)anilino]pyrimidine-5-carboxamide
SMILESCOc1nc(NC2CCCCC2N)nc(Nc2cccc(-n3nccn3)c2)c1C(N)=O
InChIInChI=1S/C20H25N9O2/c1-31-19-16(17(22)30)18(27-20(28-19)26-15-8-3-2-7-14(15)21)25-12-5-4-6-13(11-12)29-23-9-10-24-29/h4-6,9-11,14-15H,2-3,7-8,21H2,1H3,(H2,22,30)(H2,25,26,27,28)
InChIKeyYZHPKTPZDZPYSH-UHFFFAOYSA-N
XLogP1.59
TPSA158.89 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.48
LogP ≤ 51.59
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

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Related Compounds

2-[[(1R,2S)-2-aminocyclohexyl]amino]-6-[3-(triazol-2-yl)anilino]pyridine-3,5-dicarboxamide
CID 69284244
1-[2-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[3-(triazol-2-yl)anilino]pyrimidin-5-yl]ethanone
CID 59199821
6-[[(1R,2S)-2-aminocyclohexyl]amino]-2-[3-(triazol-2-yl)anilino]pyridine-3-carboxamide
CID 67775149
1-[2-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[3-(tetrazol-2-yl)anilino]pyrimidin-5-yl]ethanone
CID 67476968
2-[[(1S,2S)-2-amino-3,3-difluorocyclohexyl]amino]-4-[3-(triazol-2-yl)anilino]pyrimidine-5-carboxamide
CID 71576960
1-[2-[[(1R,2S)-2-amino-3-methylcyclohexyl]amino]-4-[3-(triazol-2-yl)anilino]pyrimidin-5-yl]ethanone
CID 67476983
3-[[(1R,2S)-2-aminocyclohexyl]amino]-5-(3-methylanilino)-1,2,4-triazine-6-carboxamide
CID 72551286
4-(3-aminoanilino)-2-[(2-aminocyclohexyl)amino]pyrimidine-5-carboxamide
CID 123987334
tert-butyl N-[2-[[5-carbamoyl-4-[3-(triazol-2-yl)anilino]pyrimidin-2-yl]amino]-6-hydroxycyclohexyl]carbamate
CID 123343933
2-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[3-(benzimidazol-1-yl)anilino]pyrimidine-5-carboxamide
CID 57471929
2-[(2-aminocyclopentyl)amino]-4-(3-methylanilino)pyrimidine-5-carboxamide
CID 57472084
6-[[(1R,2R)-2-amino-3,3-difluorocyclohexyl]amino]-5-fluoro-2-[3-(triazol-2-yl)anilino]pyridine-3-carboxamide
CID 57335964

Frequently Asked Questions

What is the IUPAC name of 2-[(2-aminocyclohexyl)amino]-4-methoxy-6-[3-(triazol-2-yl)anilino]pyrimidine-5-carboxamide?
The IUPAC name of 2-[(2-aminocyclohexyl)amino]-4-methoxy-6-[3-(triazol-2-yl)anilino]pyrimidine-5-carboxamide (CID 75040568) is 2-[(2-aminocyclohexyl)amino]-4-methoxy-6-[3-(triazol-2-yl)anilino]pyrimidine-5-carboxamide.
What is the SMILES notation for 2-[(2-aminocyclohexyl)amino]-4-methoxy-6-[3-(triazol-2-yl)anilino]pyrimidine-5-carboxamide?
The canonical SMILES for 2-[(2-aminocyclohexyl)amino]-4-methoxy-6-[3-(triazol-2-yl)anilino]pyrimidine-5-carboxamide is COc1nc(NC2CCCCC2N)nc(Nc2cccc(-n3nccn3)c2)c1C(N)=O.
What is the InChIKey of 2-[(2-aminocyclohexyl)amino]-4-methoxy-6-[3-(triazol-2-yl)anilino]pyrimidine-5-carboxamide?
The InChIKey is YZHPKTPZDZPYSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N9O2/c1-31-19-16(17(22)30)18(27-20(28-19)26-15-8-3-2-7-14(15)21)25-12-5-4-6-13(11-12)29-23-9-10-24-29/h4-6,9-11,14-15H,2-3,7-8,21H2,1H3,(H2,22,30)(H2,25,26,27,28).
What are the key properties of 2-[(2-aminocyclohexyl)amino]-4-methoxy-6-[3-(triazol-2-yl)anilino]pyrimidine-5-carboxamide?
2-[(2-aminocyclohexyl)amino]-4-methoxy-6-[3-(triazol-2-yl)anilino]pyrimidine-5-carboxamide has a molecular weight of 423.48 g/mol, XLogP of 1.59, 7 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-aminocyclohexyl)amino]-4-methoxy-6-[3-(triazol-2-yl)anilino]pyrimidine-5-carboxamide is sourced from PubChem (CID 75040568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).