1-[bis(methylamino)phosphoryl]-3-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine

C13H15ClN7OP — CID 70828560

IUPAC1-[bis(methylamino)phosphoryl]-3-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCNP(=O)(NC)n1nc(-c2ccc(Cl)cc2)c2c(N)ncnc21
InChIInChI=1S/C13H15ClN7OP/c1-16-23(22,17-2)21-13-10(12(15)18-7-19-13)11(20-21)8-3-5-9(14)6-4-8/h3-7H,1-2H3,(H2,15,18,19)(H2,16,17,22)
InChIKeyHMIRSKSWSGFQBG-UHFFFAOYSA-N
MW351.74 g/mol
LogP2.12
Rot. Bonds4

About 1-[bis(methylamino)phosphoryl]-3-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine

1-[bis(methylamino)phosphoryl]-3-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 70828560) has the molecular formula C13H15ClN7OP and a molecular weight of 351.74 g/mol. Its IUPAC name is 1-[bis(methylamino)phosphoryl]-3-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name1-[bis(methylamino)phosphoryl]-3-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID70828560
Molecular FormulaC13H15ClN7OP
Molecular Weight351.74 g/mol
Exact Mass351.08
IUPAC Name1-[bis(methylamino)phosphoryl]-3-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCNP(=O)(NC)n1nc(-c2ccc(Cl)cc2)c2c(N)ncnc21
InChIInChI=1S/C13H15ClN7OP/c1-16-23(22,17-2)21-13-10(12(15)18-7-19-13)11(20-21)8-3-5-9(14)6-4-8/h3-7H,1-2H3,(H2,15,18,19)(H2,16,17,22)
InChIKeyHMIRSKSWSGFQBG-UHFFFAOYSA-N
XLogP2.12
TPSA110.75 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.74
LogP ≤ 52.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-(4-chlorophenyl)-1-ethylpyrazolo[3,4-d]pyrimidin-4-amine
CID 24866636
4-amino-3-(4-chlorophenyl)-N,N-dimethylpyrazolo[3,4-d]pyrimidine-1-carboxamide
CID 70828538
3-(4-chlorophenyl)-1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 59633694
4-amino-3-(4-chlorophenyl)-N-phenylpyrazolo[3,4-d]pyrimidine-1-carboxamide
CID 59633585
1-(1-amino-2-methylpropan-2-yl)-3-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine;hydrobromide
CID 56602612
3-(4-chlorophenyl)-1-(1-propan-2-ylpiperidin-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 59633644
1-[1-tert-butyl-3-(4-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-3-methyl-1-sulfanylurea
CID 87574348
N-[1-tert-butyl-3-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]acetamide
CID 1471842
1-methyl-3-(4-methylsulfonylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 58269223
1-[3-[4-amino-3-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-1-yl]pyrrolidin-1-yl]prop-2-en-1-one
CID 78137211
N-[3-(4-chlorophenyl)-1-ethylpyrazolo[3,4-d]pyrimidin-4-yl]methanesulfonamide
CID 59633669
3-(4-chlorophenyl)-1-[[1-methylidene-2-(2-methylphenyl)isoquinolin-3-yl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 143832521

Frequently Asked Questions

What is the IUPAC name of 1-[bis(methylamino)phosphoryl]-3-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 1-[bis(methylamino)phosphoryl]-3-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine (CID 70828560) is 1-[bis(methylamino)phosphoryl]-3-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 1-[bis(methylamino)phosphoryl]-3-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 1-[bis(methylamino)phosphoryl]-3-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine is CNP(=O)(NC)n1nc(-c2ccc(Cl)cc2)c2c(N)ncnc21.
What is the InChIKey of 1-[bis(methylamino)phosphoryl]-3-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is HMIRSKSWSGFQBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN7OP/c1-16-23(22,17-2)21-13-10(12(15)18-7-19-13)11(20-21)8-3-5-9(14)6-4-8/h3-7H,1-2H3,(H2,15,18,19)(H2,16,17,22).
What are the key properties of 1-[bis(methylamino)phosphoryl]-3-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine?
1-[bis(methylamino)phosphoryl]-3-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 351.74 g/mol, XLogP of 2.12, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[bis(methylamino)phosphoryl]-3-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 70828560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).