2-N-(cyclohexylmethyl)-4-N-(5-methyl-1H-pyrazol-3-yl)quinazoline-2,4-diamine;N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine

C31H35N11 — CID 90969261

IUPAC2-N-(cyclohexylmethyl)-4-N-(5-methyl-1H-pyrazol-3-yl)quinazoline-2,4-diamine;N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine
SMILESCc1cc(Nc2nc(NCC3CCCCC3)nc3ccccc23)n[nH]1.Cc1cc(Nc2ncnc3ccccc23)n[nH]1
InChIInChI=1S/C19H24N6.C12H11N5/c1-13-11-17(25-24-13)22-18-15-9-5-6-10-16(15)21-19(23-18)20-12-14-7-3-2-4-8-14;1-8-6-11(17-16-8)15-12-9-4-2-3-5-10(9)13-7-14-12/h5-6,9-11,14H,2-4,7-8,12H2,1H3,(H3,20,21,22,23,24,25);2-7H,1H3,(H2,13,14,15,16,17)
InChIKeyYSWBJGZNOUJXFJ-UHFFFAOYSA-N
MW561.70 g/mol
LogP6.80
Rot. Bonds7

About 2-N-(cyclohexylmethyl)-4-N-(5-methyl-1H-pyrazol-3-yl)quinazoline-2,4-diamine;N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine

2-N-(cyclohexylmethyl)-4-N-(5-methyl-1H-pyrazol-3-yl)quinazoline-2,4-diamine;N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine (PubChem CID 90969261) has the molecular formula C31H35N11 and a molecular weight of 561.70 g/mol. Its IUPAC name is 2-N-(cyclohexylmethyl)-4-N-(5-methyl-1H-pyrazol-3-yl)quinazoline-2,4-diamine;N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine.

Molecular Properties

Compound Name2-N-(cyclohexylmethyl)-4-N-(5-methyl-1H-pyrazol-3-yl)quinazoline-2,4-diamine;N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine
PubChem CID90969261
Molecular FormulaC31H35N11
Molecular Weight561.70 g/mol
Exact Mass561.31
IUPAC Name2-N-(cyclohexylmethyl)-4-N-(5-methyl-1H-pyrazol-3-yl)quinazoline-2,4-diamine;N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine
SMILESCc1cc(Nc2nc(NCC3CCCCC3)nc3ccccc23)n[nH]1.Cc1cc(Nc2ncnc3ccccc23)n[nH]1
InChIInChI=1S/C19H24N6.C12H11N5/c1-13-11-17(25-24-13)22-18-15-9-5-6-10-16(15)21-19(23-18)20-12-14-7-3-2-4-8-14;1-8-6-11(17-16-8)15-12-9-4-2-3-5-10(9)13-7-14-12/h5-6,9-11,14H,2-4,7-8,12H2,1H3,(H3,20,21,22,23,24,25);2-7H,1H3,(H2,13,14,15,16,17)
InChIKeyYSWBJGZNOUJXFJ-UHFFFAOYSA-N
XLogP6.80
TPSA145.01 Ų
H-Bond Donors5
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500561.70
LogP ≤ 56.80
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 109

Analyze 2-N-(cyclohexylmethyl)-4-N-(5-methyl-1H-pyrazol-3-yl)quinazoline-2,4-diamine;N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine with MolForge

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Related Compounds

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
Izencitinib
CID 124090478
1-[1-(3-Aminophenyl)-3-Tert-Butyl-1h-Pyrazol-5-Yl]-3-[4-(Quinazolin-4-Ylamino)phenyl]urea
CID 60202316
Pyrazolo[3,4-d]pyrimidine 16
CID 6539967
N~2~-(1h-Benzimidazol-6-Yl)-N~4~-(5-Cyclobutyl-1h-Pyrazol-3-Yl)quinazoline-2,4-Diamine
CID 86346643
N-(5-tert-butyl-1H-pyrazol-3-yl)-8-fluoro-2-[(2R)-2-methylpiperazin-1-yl]quinazolin-4-amine
CID 137552747
Plk4-IN-4
CID 168279678
1-(4-Piperidylmethyl)-3-(3-quinolyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 68263732
N-((1R)-1-phenylethyl)-6-(1H-pyrazolo(3,4-d)pyrimidin-4-yl)quinazolin-2-amine
CID 135281127
1-{4-[(6-Aminoquinazolin-4-Yl)amino]phenyl}-3-[3-Tert-Butyl-1-(3-Methylphenyl)-1h-Pyrazol-5-Yl]urea
CID 42601396
N-[2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethyl]quinolin-2-amine
CID 138857395

Frequently Asked Questions

What is the IUPAC name of 2-N-(cyclohexylmethyl)-4-N-(5-methyl-1H-pyrazol-3-yl)quinazoline-2,4-diamine;N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine?
The IUPAC name of 2-N-(cyclohexylmethyl)-4-N-(5-methyl-1H-pyrazol-3-yl)quinazoline-2,4-diamine;N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine (CID 90969261) is 2-N-(cyclohexylmethyl)-4-N-(5-methyl-1H-pyrazol-3-yl)quinazoline-2,4-diamine;N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine.
What is the SMILES notation for 2-N-(cyclohexylmethyl)-4-N-(5-methyl-1H-pyrazol-3-yl)quinazoline-2,4-diamine;N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine?
The canonical SMILES for 2-N-(cyclohexylmethyl)-4-N-(5-methyl-1H-pyrazol-3-yl)quinazoline-2,4-diamine;N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine is Cc1cc(Nc2nc(NCC3CCCCC3)nc3ccccc23)n[nH]1.Cc1cc(Nc2ncnc3ccccc23)n[nH]1.
What is the InChIKey of 2-N-(cyclohexylmethyl)-4-N-(5-methyl-1H-pyrazol-3-yl)quinazoline-2,4-diamine;N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine?
The InChIKey is YSWBJGZNOUJXFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6.C12H11N5/c1-13-11-17(25-24-13)22-18-15-9-5-6-10-16(15)21-19(23-18)20-12-14-7-3-2-4-8-14;1-8-6-11(17-16-8)15-12-9-4-2-3-5-10(9)13-7-14-12/h5-6,9-11,14H,2-4,7-8,12H2,1H3,(H3,20,21,22,23,24,25);2-7H,1H3,(H2,13,14,15,16,17).
What are the key properties of 2-N-(cyclohexylmethyl)-4-N-(5-methyl-1H-pyrazol-3-yl)quinazoline-2,4-diamine;N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine?
2-N-(cyclohexylmethyl)-4-N-(5-methyl-1H-pyrazol-3-yl)quinazoline-2,4-diamine;N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine has a molecular weight of 561.70 g/mol, XLogP of 6.80, 7 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(cyclohexylmethyl)-4-N-(5-methyl-1H-pyrazol-3-yl)quinazoline-2,4-diamine;N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine is sourced from PubChem (CID 90969261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).