4-N-(3-dimethylphosphoryl-2-pyridinyl)-6-N-(2,6-dimethylpyrimidin-4-yl)pyrimidine-4,6-diamine

C17H20N7OP — CID 168859231

IUPAC4-N-(3-dimethylphosphoryl-2-pyridinyl)-6-N-(2,6-dimethylpyrimidin-4-yl)pyrimidine-4,6-diamine
SMILESCc1cc(Nc2cc(Nc3ncccc3P(C)(C)=O)ncn2)nc(C)n1
InChIInChI=1S/C17H20N7OP/c1-11-8-16(22-12(2)21-11)23-14-9-15(20-10-19-14)24-17-13(26(3,4)25)6-5-7-18-17/h5-10H,1-4H3,(H2,18,19,20,21,22,23,24)
InChIKeyRFZJKUNZSQILLP-UHFFFAOYSA-N
MW369.37 g/mol
LogP3.01
Rot. Bonds5

About 4-N-(3-dimethylphosphoryl-2-pyridinyl)-6-N-(2,6-dimethylpyrimidin-4-yl)pyrimidine-4,6-diamine

4-N-(3-dimethylphosphoryl-2-pyridinyl)-6-N-(2,6-dimethylpyrimidin-4-yl)pyrimidine-4,6-diamine (PubChem CID 168859231) has the molecular formula C17H20N7OP and a molecular weight of 369.37 g/mol. Its IUPAC name is 4-N-(3-dimethylphosphoryl-2-pyridinyl)-6-N-(2,6-dimethylpyrimidin-4-yl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(3-dimethylphosphoryl-2-pyridinyl)-6-N-(2,6-dimethylpyrimidin-4-yl)pyrimidine-4,6-diamine
PubChem CID168859231
Molecular FormulaC17H20N7OP
Molecular Weight369.37 g/mol
Exact Mass369.15
IUPAC Name4-N-(3-dimethylphosphoryl-2-pyridinyl)-6-N-(2,6-dimethylpyrimidin-4-yl)pyrimidine-4,6-diamine
SMILESCc1cc(Nc2cc(Nc3ncccc3P(C)(C)=O)ncn2)nc(C)n1
InChIInChI=1S/C17H20N7OP/c1-11-8-16(22-12(2)21-11)23-14-9-15(20-10-19-14)24-17-13(26(3,4)25)6-5-7-18-17/h5-10H,1-4H3,(H2,18,19,20,21,22,23,24)
InChIKeyRFZJKUNZSQILLP-UHFFFAOYSA-N
XLogP3.01
TPSA105.58 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.37
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 4-N-(3-dimethylphosphoryl-2-pyridinyl)-6-N-(2,6-dimethylpyrimidin-4-yl)pyrimidine-4,6-diamine with MolForge

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Related Compounds

N-[3-[[6-[(3-dimethylphosphoryl-2-pyridinyl)amino]pyrimidin-4-yl]amino]-4-methoxyphenyl]prop-2-enamide
CID 118129146
6-chloro-N-(2-dimethylphosphorylphenyl)pyrimidin-4-amine
CID 145311319
N-[3-(2,2-dipyridin-3-ylethyl)-2-pyridinyl]-2,6-dimethylpyrimidin-4-amine
CID 16662853
6-[(2,6-dimethylpyrimidin-4-yl)amino]-4-[(2-methoxy-3-pyridinyl)amino]-N-methylpyridine-3-carboxamide
CID 90153800
3,3,3-trideuterio-1-[6-[(2,6-dimethylpyrimidin-4-yl)amino]-4-[(3-methylsulfonyl-2-pyridinyl)amino]-3-pyridinyl]propan-1-one
CID 164832218
6-[(2,6-dimethylpyrimidin-4-yl)amino]-N-methylpyridine-3-carboxamide
CID 175861594
2,6-dimethyl-N-[4-(trifluoromethoxy)-2-pyridinyl]pyrimidin-4-amine
CID 163629227
[4-[[6-[(2,6-dimethylpyrimidin-4-yl)amino]pyrimidin-4-yl]amino]-3-methoxyphenyl]-pyrrolidin-1-ylmethanone
CID 168859302
4-N-(2,6-dimethylpyrimidin-4-yl)-6-N-[2-methoxy-3-(1-methylpyrazol-4-yl)phenyl]pyrimidine-4,6-diamine
CID 168859228
N-(2-fluorophenyl)-2,6-dimethylpyrimidin-4-amine
CID 16876812
3-[[6-[(6-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]pyridine-2-carbonitrile
CID 172624283
N-[4-[(2,6-dimethylpyrimidin-4-yl)amino]phenyl]acetamide;ethene;molecular hydrogen
CID 156868242

Frequently Asked Questions

What is the IUPAC name of 4-N-(3-dimethylphosphoryl-2-pyridinyl)-6-N-(2,6-dimethylpyrimidin-4-yl)pyrimidine-4,6-diamine?
The IUPAC name of 4-N-(3-dimethylphosphoryl-2-pyridinyl)-6-N-(2,6-dimethylpyrimidin-4-yl)pyrimidine-4,6-diamine (CID 168859231) is 4-N-(3-dimethylphosphoryl-2-pyridinyl)-6-N-(2,6-dimethylpyrimidin-4-yl)pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(3-dimethylphosphoryl-2-pyridinyl)-6-N-(2,6-dimethylpyrimidin-4-yl)pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(3-dimethylphosphoryl-2-pyridinyl)-6-N-(2,6-dimethylpyrimidin-4-yl)pyrimidine-4,6-diamine is Cc1cc(Nc2cc(Nc3ncccc3P(C)(C)=O)ncn2)nc(C)n1.
What is the InChIKey of 4-N-(3-dimethylphosphoryl-2-pyridinyl)-6-N-(2,6-dimethylpyrimidin-4-yl)pyrimidine-4,6-diamine?
The InChIKey is RFZJKUNZSQILLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N7OP/c1-11-8-16(22-12(2)21-11)23-14-9-15(20-10-19-14)24-17-13(26(3,4)25)6-5-7-18-17/h5-10H,1-4H3,(H2,18,19,20,21,22,23,24).
What are the key properties of 4-N-(3-dimethylphosphoryl-2-pyridinyl)-6-N-(2,6-dimethylpyrimidin-4-yl)pyrimidine-4,6-diamine?
4-N-(3-dimethylphosphoryl-2-pyridinyl)-6-N-(2,6-dimethylpyrimidin-4-yl)pyrimidine-4,6-diamine has a molecular weight of 369.37 g/mol, XLogP of 3.01, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-dimethylphosphoryl-2-pyridinyl)-6-N-(2,6-dimethylpyrimidin-4-yl)pyrimidine-4,6-diamine is sourced from PubChem (CID 168859231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).