2-N-(6-amino-2-pyridinyl)-5-chloro-4-N-(2-dimethoxyphosphanylphenyl)pyrimidine-2,4-diamine

C17H18ClN6O2P — CID 162715825

IUPAC2-N-(6-amino-2-pyridinyl)-5-chloro-4-N-(2-dimethoxyphosphanylphenyl)pyrimidine-2,4-diamine
SMILESCOP(OC)c1ccccc1Nc1nc(Nc2cccc(N)n2)ncc1Cl
InChIInChI=1S/C17H18ClN6O2P/c1-25-27(26-2)13-7-4-3-6-12(13)21-16-11(18)10-20-17(24-16)23-15-9-5-8-14(19)22-15/h3-10H,1-2H3,(H4,19,20,21,22,23,24)
InChIKeyOJDGEAOMTUIZMW-UHFFFAOYSA-N
MW404.80 g/mol
LogP3.82
Rot. Bonds7

About 2-N-(6-amino-2-pyridinyl)-5-chloro-4-N-(2-dimethoxyphosphanylphenyl)pyrimidine-2,4-diamine

2-N-(6-amino-2-pyridinyl)-5-chloro-4-N-(2-dimethoxyphosphanylphenyl)pyrimidine-2,4-diamine (PubChem CID 162715825) has the molecular formula C17H18ClN6O2P and a molecular weight of 404.80 g/mol. Its IUPAC name is 2-N-(6-amino-2-pyridinyl)-5-chloro-4-N-(2-dimethoxyphosphanylphenyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-(6-amino-2-pyridinyl)-5-chloro-4-N-(2-dimethoxyphosphanylphenyl)pyrimidine-2,4-diamine
PubChem CID162715825
Molecular FormulaC17H18ClN6O2P
Molecular Weight404.80 g/mol
Exact Mass404.09
IUPAC Name2-N-(6-amino-2-pyridinyl)-5-chloro-4-N-(2-dimethoxyphosphanylphenyl)pyrimidine-2,4-diamine
SMILESCOP(OC)c1ccccc1Nc1nc(Nc2cccc(N)n2)ncc1Cl
InChIInChI=1S/C17H18ClN6O2P/c1-25-27(26-2)13-7-4-3-6-12(13)21-16-11(18)10-20-17(24-16)23-15-9-5-8-14(19)22-15/h3-10H,1-2H3,(H4,19,20,21,22,23,24)
InChIKeyOJDGEAOMTUIZMW-UHFFFAOYSA-N
XLogP3.82
TPSA107.21 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.80
LogP ≤ 53.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-N-(6-amino-2-pyridinyl)-5-chloro-4-N-(2-dimethoxyphosphanylphenyl)pyrimidine-2,4-diamine?
The IUPAC name of 2-N-(6-amino-2-pyridinyl)-5-chloro-4-N-(2-dimethoxyphosphanylphenyl)pyrimidine-2,4-diamine (CID 162715825) is 2-N-(6-amino-2-pyridinyl)-5-chloro-4-N-(2-dimethoxyphosphanylphenyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-(6-amino-2-pyridinyl)-5-chloro-4-N-(2-dimethoxyphosphanylphenyl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-(6-amino-2-pyridinyl)-5-chloro-4-N-(2-dimethoxyphosphanylphenyl)pyrimidine-2,4-diamine is COP(OC)c1ccccc1Nc1nc(Nc2cccc(N)n2)ncc1Cl.
What is the InChIKey of 2-N-(6-amino-2-pyridinyl)-5-chloro-4-N-(2-dimethoxyphosphanylphenyl)pyrimidine-2,4-diamine?
The InChIKey is OJDGEAOMTUIZMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN6O2P/c1-25-27(26-2)13-7-4-3-6-12(13)21-16-11(18)10-20-17(24-16)23-15-9-5-8-14(19)22-15/h3-10H,1-2H3,(H4,19,20,21,22,23,24).
What are the key properties of 2-N-(6-amino-2-pyridinyl)-5-chloro-4-N-(2-dimethoxyphosphanylphenyl)pyrimidine-2,4-diamine?
2-N-(6-amino-2-pyridinyl)-5-chloro-4-N-(2-dimethoxyphosphanylphenyl)pyrimidine-2,4-diamine has a molecular weight of 404.80 g/mol, XLogP of 3.82, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(6-amino-2-pyridinyl)-5-chloro-4-N-(2-dimethoxyphosphanylphenyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 162715825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).