4-N-(5-methyl-1H-pyrazol-3-yl)-2-N-phenylquinazoline-2,4-diamine

C18H16N6 — CID 10267834

IUPAC4-N-(5-methyl-1H-pyrazol-3-yl)-2-N-phenylquinazoline-2,4-diamine
SMILESCc1cc(Nc2nc(Nc3ccccc3)nc3ccccc23)n[nH]1
InChIInChI=1S/C18H16N6/c1-12-11-16(24-23-12)21-17-14-9-5-6-10-15(14)20-18(22-17)19-13-7-3-2-4-8-13/h2-11H,1H3,(H3,19,20,21,22,23,24)
InChIKeyMAIYDNZVOBREIJ-UHFFFAOYSA-N
MW316.37 g/mol
LogP4.15
Rot. Bonds4

About 4-N-(5-methyl-1H-pyrazol-3-yl)-2-N-phenylquinazoline-2,4-diamine

4-N-(5-methyl-1H-pyrazol-3-yl)-2-N-phenylquinazoline-2,4-diamine (PubChem CID 10267834) has the molecular formula C18H16N6 and a molecular weight of 316.37 g/mol. Its IUPAC name is 4-N-(5-methyl-1H-pyrazol-3-yl)-2-N-phenylquinazoline-2,4-diamine.

Molecular Properties

Compound Name4-N-(5-methyl-1H-pyrazol-3-yl)-2-N-phenylquinazoline-2,4-diamine
PubChem CID10267834
Molecular FormulaC18H16N6
Molecular Weight316.37 g/mol
Exact Mass316.14
IUPAC Name4-N-(5-methyl-1H-pyrazol-3-yl)-2-N-phenylquinazoline-2,4-diamine
SMILESCc1cc(Nc2nc(Nc3ccccc3)nc3ccccc23)n[nH]1
InChIInChI=1S/C18H16N6/c1-12-11-16(24-23-12)21-17-14-9-5-6-10-15(14)20-18(22-17)19-13-7-3-2-4-8-13/h2-11H,1H3,(H3,19,20,21,22,23,24)
InChIKeyMAIYDNZVOBREIJ-UHFFFAOYSA-N
XLogP4.15
TPSA78.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.37
LogP ≤ 54.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

Enmd-2076
CID 16041424
Importazole
CID 2949965
1H-pyrazolo[3,4-b]quinolin-3-amine
CID 667632
N-(5-methyl-1H-pyrazol-3-yl)-2-phenylquinazolin-4-amine
CID 6419766
N-1H-indazol-5-yl-2-(6-methylpyridin-2-yl)quinazolin-4-amine
CID 9998128
N-(4-butylphenyl)-2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-methylpyrimidin-4-amine
CID 16030702
4-methyl-6-phenyl-2H-pyrazolo[3,4-d]pyrimidin-3-amine
CID 821854
Quinazoline, 2,4-dianilino-
CID 213847
1-[1-(3-Aminophenyl)-3-Tert-Butyl-1h-Pyrazol-5-Yl]-3-[4-(Quinazolin-4-Ylamino)phenyl]urea
CID 60202316
2-(4-((4-((5-Cyclopropyl-1H-pyrazol-3-yl)amino)-6-methylpyrimidin-2-yl)amino)phenyl)acetonitrile
CID 45111335
6-(3-Amino-2h-Indazol-6-Yl)-N~4~-Ethylpyrimidine-2,4-Diamine
CID 46214652
6-phenyl-~{N}3-[4-(trifluoromethyl)phenyl]-1~{H}-pyrazolo[3,4-d]pyrimidine-3,4-diamine
CID 71549763

Frequently Asked Questions

What is the IUPAC name of 4-N-(5-methyl-1H-pyrazol-3-yl)-2-N-phenylquinazoline-2,4-diamine?
The IUPAC name of 4-N-(5-methyl-1H-pyrazol-3-yl)-2-N-phenylquinazoline-2,4-diamine (CID 10267834) is 4-N-(5-methyl-1H-pyrazol-3-yl)-2-N-phenylquinazoline-2,4-diamine.
What is the SMILES notation for 4-N-(5-methyl-1H-pyrazol-3-yl)-2-N-phenylquinazoline-2,4-diamine?
The canonical SMILES for 4-N-(5-methyl-1H-pyrazol-3-yl)-2-N-phenylquinazoline-2,4-diamine is Cc1cc(Nc2nc(Nc3ccccc3)nc3ccccc23)n[nH]1.
What is the InChIKey of 4-N-(5-methyl-1H-pyrazol-3-yl)-2-N-phenylquinazoline-2,4-diamine?
The InChIKey is MAIYDNZVOBREIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N6/c1-12-11-16(24-23-12)21-17-14-9-5-6-10-15(14)20-18(22-17)19-13-7-3-2-4-8-13/h2-11H,1H3,(H3,19,20,21,22,23,24).
What are the key properties of 4-N-(5-methyl-1H-pyrazol-3-yl)-2-N-phenylquinazoline-2,4-diamine?
4-N-(5-methyl-1H-pyrazol-3-yl)-2-N-phenylquinazoline-2,4-diamine has a molecular weight of 316.37 g/mol, XLogP of 4.15, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(5-methyl-1H-pyrazol-3-yl)-2-N-phenylquinazoline-2,4-diamine is sourced from PubChem (CID 10267834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).