6-dimethylphosphoryl-4-N-(4,5-dimethyl-1H-pyrazol-3-yl)-7-N,7-N-dimethylquinazoline-4,7-diamine

C17H23N6OP — CID 146437997

IUPAC6-dimethylphosphoryl-4-N-(4,5-dimethyl-1H-pyrazol-3-yl)-7-N,7-N-dimethylquinazoline-4,7-diamine
SMILESCc1[nH]nc(Nc2ncnc3cc(N(C)C)c(P(C)(C)=O)cc23)c1C
InChIInChI=1S/C17H23N6OP/c1-10-11(2)21-22-16(10)20-17-12-7-15(25(5,6)24)14(23(3)4)8-13(12)18-9-19-17/h7-9H,1-6H3,(H2,18,19,20,21,22)
InChIKeyVLQUVCDVRVZFIL-UHFFFAOYSA-N
MW358.39 g/mol
LogP3.03
Rot. Bonds4

About 6-dimethylphosphoryl-4-N-(4,5-dimethyl-1H-pyrazol-3-yl)-7-N,7-N-dimethylquinazoline-4,7-diamine

6-dimethylphosphoryl-4-N-(4,5-dimethyl-1H-pyrazol-3-yl)-7-N,7-N-dimethylquinazoline-4,7-diamine (PubChem CID 146437997) has the molecular formula C17H23N6OP and a molecular weight of 358.39 g/mol. Its IUPAC name is 6-dimethylphosphoryl-4-N-(4,5-dimethyl-1H-pyrazol-3-yl)-7-N,7-N-dimethylquinazoline-4,7-diamine.

Molecular Properties

Compound Name6-dimethylphosphoryl-4-N-(4,5-dimethyl-1H-pyrazol-3-yl)-7-N,7-N-dimethylquinazoline-4,7-diamine
PubChem CID146437997
Molecular FormulaC17H23N6OP
Molecular Weight358.39 g/mol
Exact Mass358.17
IUPAC Name6-dimethylphosphoryl-4-N-(4,5-dimethyl-1H-pyrazol-3-yl)-7-N,7-N-dimethylquinazoline-4,7-diamine
SMILESCc1[nH]nc(Nc2ncnc3cc(N(C)C)c(P(C)(C)=O)cc23)c1C
InChIInChI=1S/C17H23N6OP/c1-10-11(2)21-22-16(10)20-17-12-7-15(25(5,6)24)14(23(3)4)8-13(12)18-9-19-17/h7-9H,1-6H3,(H2,18,19,20,21,22)
InChIKeyVLQUVCDVRVZFIL-UHFFFAOYSA-N
XLogP3.03
TPSA86.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.39
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 6-dimethylphosphoryl-4-N-(4,5-dimethyl-1H-pyrazol-3-yl)-7-N,7-N-dimethylquinazoline-4,7-diamine with MolForge

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Related Compounds

2-[4-[(4,5-dimethyl-1H-pyrazol-3-yl)amino]-7-methoxyquinazolin-6-yl]sulfonylethanol
CID 71259308
7-butoxy-6-tert-butylsulfonyl-N-(4,5-dimethyl-1H-pyrazol-3-yl)quinazolin-4-amine;ethane
CID 145274840
2-[4-[2-[6-tert-butylsulfinyl-4-[(4,5-dimethyl-1H-pyrazol-3-yl)amino]quinazolin-7-yl]oxyethyl]piperazin-1-yl]pyrimidin-5-ol
CID 155185929
N-(6-dimethylphosphoryl-7-methoxyquinazolin-4-yl)-1,3-benzothiazol-5-amine
CID 146437991
6-tert-butylsulfanyl-N-(4,5-dimethyl-1H-pyrazol-3-yl)-7-[2-[4-(5-methoxypyrimidin-2-yl)piperazin-1-yl]ethoxy]quinazolin-4-amine
CID 145386526
N-(3,5-dibromo-4-methylphenyl)-6,7-dimethylquinazolin-4-amine;dihydrate
CID 160598444
N-(5-fluoro-1H-indazol-3-yl)-6-methylquinazolin-4-amine
CID 144534779
6,7-dimethyl-N-(2-methylphenyl)quinazolin-4-amine
CID 18685587
4-N-[2-(dimethylamino)phenyl]pyrido[4,3-d]pyrimidine-4,7-diamine
CID 5328066
N-(1H-indol-5-yl)-6,7-dimethylquinazolin-4-amine
CID 142010031
4-N-(1H-indol-5-yl)-6-N,6-N-dimethylquinazoline-4,6-diamine
CID 23366722
N,N,6-trimethyl-1H-benzimidazol-5-amine
CID 20785148

Frequently Asked Questions

What is the IUPAC name of 6-dimethylphosphoryl-4-N-(4,5-dimethyl-1H-pyrazol-3-yl)-7-N,7-N-dimethylquinazoline-4,7-diamine?
The IUPAC name of 6-dimethylphosphoryl-4-N-(4,5-dimethyl-1H-pyrazol-3-yl)-7-N,7-N-dimethylquinazoline-4,7-diamine (CID 146437997) is 6-dimethylphosphoryl-4-N-(4,5-dimethyl-1H-pyrazol-3-yl)-7-N,7-N-dimethylquinazoline-4,7-diamine.
What is the SMILES notation for 6-dimethylphosphoryl-4-N-(4,5-dimethyl-1H-pyrazol-3-yl)-7-N,7-N-dimethylquinazoline-4,7-diamine?
The canonical SMILES for 6-dimethylphosphoryl-4-N-(4,5-dimethyl-1H-pyrazol-3-yl)-7-N,7-N-dimethylquinazoline-4,7-diamine is Cc1[nH]nc(Nc2ncnc3cc(N(C)C)c(P(C)(C)=O)cc23)c1C.
What is the InChIKey of 6-dimethylphosphoryl-4-N-(4,5-dimethyl-1H-pyrazol-3-yl)-7-N,7-N-dimethylquinazoline-4,7-diamine?
The InChIKey is VLQUVCDVRVZFIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N6OP/c1-10-11(2)21-22-16(10)20-17-12-7-15(25(5,6)24)14(23(3)4)8-13(12)18-9-19-17/h7-9H,1-6H3,(H2,18,19,20,21,22).
What are the key properties of 6-dimethylphosphoryl-4-N-(4,5-dimethyl-1H-pyrazol-3-yl)-7-N,7-N-dimethylquinazoline-4,7-diamine?
6-dimethylphosphoryl-4-N-(4,5-dimethyl-1H-pyrazol-3-yl)-7-N,7-N-dimethylquinazoline-4,7-diamine has a molecular weight of 358.39 g/mol, XLogP of 3.03, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-dimethylphosphoryl-4-N-(4,5-dimethyl-1H-pyrazol-3-yl)-7-N,7-N-dimethylquinazoline-4,7-diamine is sourced from PubChem (CID 146437997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).