4-N-(2-dimethylphosphorylphenyl)-2-N-prop-1-en-2-ylpyrimidine-2,4-diamine

C15H19N4OP — CID 142365892

IUPAC4-N-(2-dimethylphosphorylphenyl)-2-N-prop-1-en-2-ylpyrimidine-2,4-diamine
SMILESC=C(C)Nc1nccc(Nc2ccccc2P(C)(C)=O)n1
InChIInChI=1S/C15H19N4OP/c1-11(2)17-15-16-10-9-14(19-15)18-12-7-5-6-8-13(12)21(3,4)20/h5-10H,1H2,2-4H3,(H2,16,17,18,19)
InChIKeyAZVACYCGGUKOKY-UHFFFAOYSA-N
MW302.32 g/mol
LogP3.41
Rot. Bonds5

About 4-N-(2-dimethylphosphorylphenyl)-2-N-prop-1-en-2-ylpyrimidine-2,4-diamine

4-N-(2-dimethylphosphorylphenyl)-2-N-prop-1-en-2-ylpyrimidine-2,4-diamine (PubChem CID 142365892) has the molecular formula C15H19N4OP and a molecular weight of 302.32 g/mol. Its IUPAC name is 4-N-(2-dimethylphosphorylphenyl)-2-N-prop-1-en-2-ylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(2-dimethylphosphorylphenyl)-2-N-prop-1-en-2-ylpyrimidine-2,4-diamine
PubChem CID142365892
Molecular FormulaC15H19N4OP
Molecular Weight302.32 g/mol
Exact Mass302.13
IUPAC Name4-N-(2-dimethylphosphorylphenyl)-2-N-prop-1-en-2-ylpyrimidine-2,4-diamine
SMILESC=C(C)Nc1nccc(Nc2ccccc2P(C)(C)=O)n1
InChIInChI=1S/C15H19N4OP/c1-11(2)17-15-16-10-9-14(19-15)18-12-7-5-6-8-13(12)21(3,4)20/h5-10H,1H2,2-4H3,(H2,16,17,18,19)
InChIKeyAZVACYCGGUKOKY-UHFFFAOYSA-N
XLogP3.41
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.32
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[[4-(2-dimethylphosphorylanilino)pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide
CID 71471355
2-N-[4-[2-(dimethylamino)ethyl-methylamino]-3-nitrophenyl]-4-N-(2-dimethylphosphorylphenyl)pyrimidine-2,4-diamine
CID 164820915
4-chloro-N-(2-dimethylphosphorylphenyl)-1,3,5-triazin-2-amine
CID 118147702
6-chloro-N-(2-dimethylphosphorylphenyl)pyrimidin-4-amine
CID 145311319
N-[2-[2-(dimethylamino)-7-azaspiro[3.5]nonan-7-yl]-5-[[4-(2-dimethylphosphorylanilino)pyrimidin-2-yl]amino]phenyl]prop-2-enamide
CID 155183853
N-(2-chlorophenyl)-2-hydrazinylpyrimidin-4-amine
CID 80928115
sodium;1-N-[2-(dimethylamino)ethyl]-4-N-[4-(2-dimethylphosphorylanilino)pyrimidin-2-yl]-1-N-methylbenzene-1,2,4-triamine;N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[[4-(2-dimethylphosphorylanilino)pyrimidin-2-yl]amino]phenyl]prop-2-enamide;oxido formate;prop-2-enoyl chloride
CID 165079702
2-hydrazinyl-N-(2-propan-2-ylphenyl)pyrimidin-4-amine
CID 80920603
2-[[2-(2-carbamoylanilino)pyrimidin-4-yl]amino]benzoic acid;hydrochloride
CID 71501712
2-dimethylphosphoryl-N-methylaniline
CID 130370535
4-N-(2-tert-butylphenyl)-2-N-quinolin-8-ylpyrimidine-2,4-diamine
CID 112903339
N-[3-[[4-[2-(trifluoromethyl)anilino]pyrimidin-2-yl]amino]phenyl]acetamide
CID 112905461

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-dimethylphosphorylphenyl)-2-N-prop-1-en-2-ylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-(2-dimethylphosphorylphenyl)-2-N-prop-1-en-2-ylpyrimidine-2,4-diamine (CID 142365892) is 4-N-(2-dimethylphosphorylphenyl)-2-N-prop-1-en-2-ylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(2-dimethylphosphorylphenyl)-2-N-prop-1-en-2-ylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(2-dimethylphosphorylphenyl)-2-N-prop-1-en-2-ylpyrimidine-2,4-diamine is C=C(C)Nc1nccc(Nc2ccccc2P(C)(C)=O)n1.
What is the InChIKey of 4-N-(2-dimethylphosphorylphenyl)-2-N-prop-1-en-2-ylpyrimidine-2,4-diamine?
The InChIKey is AZVACYCGGUKOKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N4OP/c1-11(2)17-15-16-10-9-14(19-15)18-12-7-5-6-8-13(12)21(3,4)20/h5-10H,1H2,2-4H3,(H2,16,17,18,19).
What are the key properties of 4-N-(2-dimethylphosphorylphenyl)-2-N-prop-1-en-2-ylpyrimidine-2,4-diamine?
4-N-(2-dimethylphosphorylphenyl)-2-N-prop-1-en-2-ylpyrimidine-2,4-diamine has a molecular weight of 302.32 g/mol, XLogP of 3.41, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-dimethylphosphorylphenyl)-2-N-prop-1-en-2-ylpyrimidine-2,4-diamine is sourced from PubChem (CID 142365892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).