N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-(2-methylphenyl)-6-pyridin-4-ylpyrimidin-2-amine

C22H20N6 — CID 66804986

IUPACN-(5-cyclopropyl-1H-pyrazol-3-yl)-4-(2-methylphenyl)-6-pyridin-4-ylpyrimidin-2-amine
SMILESCc1ccccc1-c1cc(-c2ccncc2)nc(Nc2cc(C3CC3)[nH]n2)n1
InChIInChI=1S/C22H20N6/c1-14-4-2-3-5-17(14)20-12-18(16-8-10-23-11-9-16)24-22(25-20)26-21-13-19(27-28-21)15-6-7-15/h2-5,8-13,15H,6-7H2,1H3,(H2,24,25,26,27,28)
InChIKeyVMBXWGGTNACXJP-UHFFFAOYSA-N
MW368.44 g/mol
LogP4.86
Rot. Bonds5

About N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-(2-methylphenyl)-6-pyridin-4-ylpyrimidin-2-amine

N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-(2-methylphenyl)-6-pyridin-4-ylpyrimidin-2-amine (PubChem CID 66804986) has the molecular formula C22H20N6 and a molecular weight of 368.44 g/mol. Its IUPAC name is N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-(2-methylphenyl)-6-pyridin-4-ylpyrimidin-2-amine.

Molecular Properties

Compound NameN-(5-cyclopropyl-1H-pyrazol-3-yl)-4-(2-methylphenyl)-6-pyridin-4-ylpyrimidin-2-amine
PubChem CID66804986
Molecular FormulaC22H20N6
Molecular Weight368.44 g/mol
Exact Mass368.17
IUPAC NameN-(5-cyclopropyl-1H-pyrazol-3-yl)-4-(2-methylphenyl)-6-pyridin-4-ylpyrimidin-2-amine
SMILESCc1ccccc1-c1cc(-c2ccncc2)nc(Nc2cc(C3CC3)[nH]n2)n1
InChIInChI=1S/C22H20N6/c1-14-4-2-3-5-17(14)20-12-18(16-8-10-23-11-9-16)24-22(25-20)26-21-13-19(27-28-21)15-6-7-15/h2-5,8-13,15H,6-7H2,1H3,(H2,24,25,26,27,28)
InChIKeyVMBXWGGTNACXJP-UHFFFAOYSA-N
XLogP4.86
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 54.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-(1H-pyrrol-2-yl)-6-[2-(trifluoromethyl)phenyl]pyrimidin-2-amine
CID 10295010
4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-methyl-2-N-(2-phenylphenyl)pyrimidine-2,4-diamine
CID 143605466
N-(5-cyclopropyl-1H-pyrazol-3-yl)-7-(2,6-dimethylphenyl)-8H-imidazo[1,2-a]pyrazin-5-amine
CID 173087467
5,7-difluoro-N-[4-(2-methylphenyl)-6-phenylpyrimidin-2-yl]-1H-indazol-3-amine
CID 66804783
2-N-(4-chloro-2-methylphenyl)-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-N-oxidopyrimidine-2,4,5-triamine
CID 143702076
4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]pyrimidine-2,4-diamine
CID 71058316
4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-ethylpyrrolo[2,1-f][1,2,4]triazine-2,4-diamine
CID 143606522
N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(3-ethylphenyl)pyrimidin-4-amine
CID 90243458
3-chloro-N-(5-cyclopentyl-1H-pyrazol-3-yl)-5-methylpyridin-4-amine
CID 164880257
2-[4-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-(methylamino)pyrimidin-2-yl]amino]phenyl]acetonitrile
CID 23624249
4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[(3-methyl-1H-indol-4-yl)methyl]pyrimidine-2,4-diamine
CID 86694747
2-N-[[3-(2-bromophenyl)-1,2-oxazol-5-yl]methyl]-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-methylpyrimidine-2,4-diamine
CID 59758180

Frequently Asked Questions

What is the IUPAC name of N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-(2-methylphenyl)-6-pyridin-4-ylpyrimidin-2-amine?
The IUPAC name of N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-(2-methylphenyl)-6-pyridin-4-ylpyrimidin-2-amine (CID 66804986) is N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-(2-methylphenyl)-6-pyridin-4-ylpyrimidin-2-amine.
What is the SMILES notation for N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-(2-methylphenyl)-6-pyridin-4-ylpyrimidin-2-amine?
The canonical SMILES for N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-(2-methylphenyl)-6-pyridin-4-ylpyrimidin-2-amine is Cc1ccccc1-c1cc(-c2ccncc2)nc(Nc2cc(C3CC3)[nH]n2)n1.
What is the InChIKey of N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-(2-methylphenyl)-6-pyridin-4-ylpyrimidin-2-amine?
The InChIKey is VMBXWGGTNACXJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N6/c1-14-4-2-3-5-17(14)20-12-18(16-8-10-23-11-9-16)24-22(25-20)26-21-13-19(27-28-21)15-6-7-15/h2-5,8-13,15H,6-7H2,1H3,(H2,24,25,26,27,28).
What are the key properties of N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-(2-methylphenyl)-6-pyridin-4-ylpyrimidin-2-amine?
N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-(2-methylphenyl)-6-pyridin-4-ylpyrimidin-2-amine has a molecular weight of 368.44 g/mol, XLogP of 4.86, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-(2-methylphenyl)-6-pyridin-4-ylpyrimidin-2-amine is sourced from PubChem (CID 66804986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).