acetic acid;2-chloro-N-cyclopropyl-5-methylpyrimidin-4-amine;copper;4-N-cyclopropyl-5-methyl-2-N-quinolin-6-ylpyrimidine-2,4-diamine;quinolin-6-amine

C36H39ClCuN10O2 — CID 159483817

IUPACacetic acid;2-chloro-N-cyclopropyl-5-methylpyrimidin-4-amine;copper;4-N-cyclopropyl-5-methyl-2-N-quinolin-6-ylpyrimidine-2,4-diamine;quinolin-6-amine
SMILESCC(=O)O.Cc1cnc(Cl)nc1NC1CC1.Cc1cnc(Nc2ccc3ncccc3c2)nc1NC1CC1.Nc1ccc2ncccc2c1.[Cu]
InChIInChI=1S/C17H17N5.C9H8N2.C8H10ClN3.C2H4O2.Cu/c1-11-10-19-17(22-16(11)20-13-4-5-13)21-14-6-7-15-12(9-14)3-2-8-18-15;10-8-3-4-9-7(6-8)2-1-5-11-9;1-5-4-10-8(9)12-7(5)11-6-2-3-6;1-2(3)4;/h2-3,6-10,13H,4-5H2,1H3,(H2,19,20,21,22);1-6H,10H2;4,6H,2-3H2,1H3,(H,10,11,12);1H3,(H,3,4);
InChIKeyIUABYHISOPBQJI-UHFFFAOYSA-N
MW742.78 g/mol
LogP7.57
Rot. Bonds6

About acetic acid;2-chloro-N-cyclopropyl-5-methylpyrimidin-4-amine;copper;4-N-cyclopropyl-5-methyl-2-N-quinolin-6-ylpyrimidine-2,4-diamine;quinolin-6-amine

acetic acid;2-chloro-N-cyclopropyl-5-methylpyrimidin-4-amine;copper;4-N-cyclopropyl-5-methyl-2-N-quinolin-6-ylpyrimidine-2,4-diamine;quinolin-6-amine (PubChem CID 159483817) has the molecular formula C36H39ClCuN10O2 and a molecular weight of 742.78 g/mol. Its IUPAC name is acetic acid;2-chloro-N-cyclopropyl-5-methylpyrimidin-4-amine;copper;4-N-cyclopropyl-5-methyl-2-N-quinolin-6-ylpyrimidine-2,4-diamine;quinolin-6-amine.

Molecular Properties

Compound Nameacetic acid;2-chloro-N-cyclopropyl-5-methylpyrimidin-4-amine;copper;4-N-cyclopropyl-5-methyl-2-N-quinolin-6-ylpyrimidine-2,4-diamine;quinolin-6-amine
PubChem CID159483817
Molecular FormulaC36H39ClCuN10O2
Molecular Weight742.78 g/mol
Exact Mass741.22
IUPAC Nameacetic acid;2-chloro-N-cyclopropyl-5-methylpyrimidin-4-amine;copper;4-N-cyclopropyl-5-methyl-2-N-quinolin-6-ylpyrimidine-2,4-diamine;quinolin-6-amine
SMILESCC(=O)O.Cc1cnc(Cl)nc1NC1CC1.Cc1cnc(Nc2ccc3ncccc3c2)nc1NC1CC1.Nc1ccc2ncccc2c1.[Cu]
InChIInChI=1S/C17H17N5.C9H8N2.C8H10ClN3.C2H4O2.Cu/c1-11-10-19-17(22-16(11)20-13-4-5-13)21-14-6-7-15-12(9-14)3-2-8-18-15;10-8-3-4-9-7(6-8)2-1-5-11-9;1-5-4-10-8(9)12-7(5)11-6-2-3-6;1-2(3)4;/h2-3,6-10,13H,4-5H2,1H3,(H2,19,20,21,22);1-6H,10H2;4,6H,2-3H2,1H3,(H,10,11,12);1H3,(H,3,4);
InChIKeyIUABYHISOPBQJI-UHFFFAOYSA-N
XLogP7.57
TPSA176.75 Ų
H-Bond Donors5
H-Bond Acceptors11
Rotatable Bonds6
Heavy Atoms50
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500742.78
LogP ≤ 57.57
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

Analyze acetic acid;2-chloro-N-cyclopropyl-5-methylpyrimidin-4-amine;copper;4-N-cyclopropyl-5-methyl-2-N-quinolin-6-ylpyrimidine-2,4-diamine;quinolin-6-amine with MolForge

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Launch Full Analysis

Related Compounds

6-N-[2-[(4-amino-2-methylquinolin-6-yl)amino]pyrimidin-4-yl]-2-methylquinoline-4,6-diamine
CID 76331386
6-N-[6-[(4-amino-2-methylquinolin-6-yl)amino]pyrimidin-4-yl]-2-methylquinoline-4,6-diamine
CID 155539676
2-[4-[5-[4-(Pyrazin-2-ylamino)quinolin-7-yl]pyrimidin-2-yl]piperazin-1-yl]acetic acid
CID 155552850
US10167270, Example 108
CID 124168206
N,N'-Bis(benzo(b)(1,8)napthyridin-5-yl)-1,12-dodecanediamine
CID 99665
N~1~,N~10~-Bis(benzo[b][1,8]naphthyridin-5-yl)decane-1,10-diamine
CID 319096
2-(6-methyl-2-pyridinyl)-N-quinolin-6-ylquinazolin-4-amine
CID 172447313
4-N-(4-amino-2-methylquinolin-6-yl)-2-N,2-N-diethyl-6-N-quinolin-6-yl-1,3,5-triazine-2,4,6-triamine
CID 76334986
4-N-cyclopropyl-5-methyl-2-N-quinolin-6-ylpyrimidine-2,4-diamine
CID 117081210
4-[3-Fluoropropyl-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butyl]amino]-2-[(2-pyridin-3-ylquinazolin-4-yl)amino]butanoic acid
CID 139464040
(2S)-4-[3,3-difluoropropyl-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butyl]amino]-2-[(2-pyridin-3-ylquinazolin-4-yl)amino]butanoic acid
CID 139464483
4-[3,3-Difluoropropyl-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butyl]amino]-2-[(2-pyridin-3-ylquinazolin-4-yl)amino]butanoic acid
CID 139464486

Frequently Asked Questions

What is the IUPAC name of acetic acid;2-chloro-N-cyclopropyl-5-methylpyrimidin-4-amine;copper;4-N-cyclopropyl-5-methyl-2-N-quinolin-6-ylpyrimidine-2,4-diamine;quinolin-6-amine?
The IUPAC name of acetic acid;2-chloro-N-cyclopropyl-5-methylpyrimidin-4-amine;copper;4-N-cyclopropyl-5-methyl-2-N-quinolin-6-ylpyrimidine-2,4-diamine;quinolin-6-amine (CID 159483817) is acetic acid;2-chloro-N-cyclopropyl-5-methylpyrimidin-4-amine;copper;4-N-cyclopropyl-5-methyl-2-N-quinolin-6-ylpyrimidine-2,4-diamine;quinolin-6-amine.
What is the SMILES notation for acetic acid;2-chloro-N-cyclopropyl-5-methylpyrimidin-4-amine;copper;4-N-cyclopropyl-5-methyl-2-N-quinolin-6-ylpyrimidine-2,4-diamine;quinolin-6-amine?
The canonical SMILES for acetic acid;2-chloro-N-cyclopropyl-5-methylpyrimidin-4-amine;copper;4-N-cyclopropyl-5-methyl-2-N-quinolin-6-ylpyrimidine-2,4-diamine;quinolin-6-amine is CC(=O)O.Cc1cnc(Cl)nc1NC1CC1.Cc1cnc(Nc2ccc3ncccc3c2)nc1NC1CC1.Nc1ccc2ncccc2c1.[Cu].
What is the InChIKey of acetic acid;2-chloro-N-cyclopropyl-5-methylpyrimidin-4-amine;copper;4-N-cyclopropyl-5-methyl-2-N-quinolin-6-ylpyrimidine-2,4-diamine;quinolin-6-amine?
The InChIKey is IUABYHISOPBQJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5.C9H8N2.C8H10ClN3.C2H4O2.Cu/c1-11-10-19-17(22-16(11)20-13-4-5-13)21-14-6-7-15-12(9-14)3-2-8-18-15;10-8-3-4-9-7(6-8)2-1-5-11-9;1-5-4-10-8(9)12-7(5)11-6-2-3-6;1-2(3)4;/h2-3,6-10,13H,4-5H2,1H3,(H2,19,20,21,22);1-6H,10H2;4,6H,2-3H2,1H3,(H,10,11,12);1H3,(H,3,4);.
What are the key properties of acetic acid;2-chloro-N-cyclopropyl-5-methylpyrimidin-4-amine;copper;4-N-cyclopropyl-5-methyl-2-N-quinolin-6-ylpyrimidine-2,4-diamine;quinolin-6-amine?
acetic acid;2-chloro-N-cyclopropyl-5-methylpyrimidin-4-amine;copper;4-N-cyclopropyl-5-methyl-2-N-quinolin-6-ylpyrimidine-2,4-diamine;quinolin-6-amine has a molecular weight of 742.78 g/mol, XLogP of 7.57, 6 rotatable bonds, 5 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;2-chloro-N-cyclopropyl-5-methylpyrimidin-4-amine;copper;4-N-cyclopropyl-5-methyl-2-N-quinolin-6-ylpyrimidine-2,4-diamine;quinolin-6-amine is sourced from PubChem (CID 159483817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).