N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-methyl-2-(1,2,3,6-tetrahydropyridin-4-yl)pyrimidin-4-amine

C16H20N6 — CID 163915916

IUPACN-(5-cyclopropyl-1H-pyrazol-3-yl)-5-methyl-2-(1,2,3,6-tetrahydropyridin-4-yl)pyrimidin-4-amine
SMILESCc1cnc(C2=CCNCC2)nc1Nc1cc(C2CC2)[nH]n1
InChIInChI=1S/C16H20N6/c1-10-9-18-16(12-4-6-17-7-5-12)20-15(10)19-14-8-13(21-22-14)11-2-3-11/h4,8-9,11,17H,2-3,5-7H2,1H3,(H2,18,19,20,21,22)
InChIKeyQWFMTBGDAWUJTQ-UHFFFAOYSA-N
MW296.38 g/mol
LogP2.51
Rot. Bonds4

About N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-methyl-2-(1,2,3,6-tetrahydropyridin-4-yl)pyrimidin-4-amine

N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-methyl-2-(1,2,3,6-tetrahydropyridin-4-yl)pyrimidin-4-amine (PubChem CID 163915916) has the molecular formula C16H20N6 and a molecular weight of 296.38 g/mol. Its IUPAC name is N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-methyl-2-(1,2,3,6-tetrahydropyridin-4-yl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-(5-cyclopropyl-1H-pyrazol-3-yl)-5-methyl-2-(1,2,3,6-tetrahydropyridin-4-yl)pyrimidin-4-amine
PubChem CID163915916
Molecular FormulaC16H20N6
Molecular Weight296.38 g/mol
Exact Mass296.17
IUPAC NameN-(5-cyclopropyl-1H-pyrazol-3-yl)-5-methyl-2-(1,2,3,6-tetrahydropyridin-4-yl)pyrimidin-4-amine
SMILESCc1cnc(C2=CCNCC2)nc1Nc1cc(C2CC2)[nH]n1
InChIInChI=1S/C16H20N6/c1-10-9-18-16(12-4-6-17-7-5-12)20-15(10)19-14-8-13(21-22-14)11-2-3-11/h4,8-9,11,17H,2-3,5-7H2,1H3,(H2,18,19,20,21,22)
InChIKeyQWFMTBGDAWUJTQ-UHFFFAOYSA-N
XLogP2.51
TPSA78.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.38
LogP ≤ 52.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-[5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-methylpyrimidin-2-yl]thiophen-2-yl]ethane-1,2-diol
CID 50943955
4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-methyl-2-N-(2-phenylphenyl)pyrimidine-2,4-diamine
CID 143605466
1-[5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-methylpyrimidin-2-yl]thiophen-2-yl]-3-methoxypropan-1-ol
CID 70792558
5-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(4-methylthiophen-2-yl)pyrimidin-4-amine
CID 90383982
N-(5-cyclohexyl-1H-pyrazol-3-yl)-2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 144990608
5-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(4-methyl-5-propan-2-yl-1,3-thiazol-2-yl)pyrimidin-4-amine
CID 58169387
N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-fluoro-2-(4-hydroxysulfanylcyclopenta-1,3-dien-1-yl)pyrimidin-4-amine
CID 90381573
N-[[4-[[2-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-methylpyrimidin-4-yl]amino]phenyl]methyl]cyclopropanesulfonamide
CID 58217539
5-bromo-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-(3,5-dimethylphenyl)pyrimidine-2,4-diamine
CID 59757986
CID 88969890
CID 88969890
5-(1-chloroethenyl)-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-phenylpyrimidin-4-amine
CID 50943216
5-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(5-ethanimidoylthiophen-2-yl)pyrimidin-4-amine
CID 90381576

Frequently Asked Questions

What is the IUPAC name of N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-methyl-2-(1,2,3,6-tetrahydropyridin-4-yl)pyrimidin-4-amine?
The IUPAC name of N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-methyl-2-(1,2,3,6-tetrahydropyridin-4-yl)pyrimidin-4-amine (CID 163915916) is N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-methyl-2-(1,2,3,6-tetrahydropyridin-4-yl)pyrimidin-4-amine.
What is the SMILES notation for N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-methyl-2-(1,2,3,6-tetrahydropyridin-4-yl)pyrimidin-4-amine?
The canonical SMILES for N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-methyl-2-(1,2,3,6-tetrahydropyridin-4-yl)pyrimidin-4-amine is Cc1cnc(C2=CCNCC2)nc1Nc1cc(C2CC2)[nH]n1.
What is the InChIKey of N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-methyl-2-(1,2,3,6-tetrahydropyridin-4-yl)pyrimidin-4-amine?
The InChIKey is QWFMTBGDAWUJTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N6/c1-10-9-18-16(12-4-6-17-7-5-12)20-15(10)19-14-8-13(21-22-14)11-2-3-11/h4,8-9,11,17H,2-3,5-7H2,1H3,(H2,18,19,20,21,22).
What are the key properties of N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-methyl-2-(1,2,3,6-tetrahydropyridin-4-yl)pyrimidin-4-amine?
N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-methyl-2-(1,2,3,6-tetrahydropyridin-4-yl)pyrimidin-4-amine has a molecular weight of 296.38 g/mol, XLogP of 2.51, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-methyl-2-(1,2,3,6-tetrahydropyridin-4-yl)pyrimidin-4-amine is sourced from PubChem (CID 163915916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).