2-cyclopropyl-N-[1-[2-(4-methylpyrazol-1-yl)ethyl]piperidin-3-yl]pyrimidin-4-amine

C18H26N6 — CID 172900475

IUPAC2-cyclopropyl-N-[1-[2-(4-methylpyrazol-1-yl)ethyl]piperidin-3-yl]pyrimidin-4-amine
SMILESCc1cnn(CCN2CCCC(Nc3ccnc(C4CC4)n3)C2)c1
InChIInChI=1S/C18H26N6/c1-14-11-20-24(12-14)10-9-23-8-2-3-16(13-23)21-17-6-7-19-18(22-17)15-4-5-15/h6-7,11-12,15-16H,2-5,8-10,13H2,1H3,(H,19,21,22)
InChIKeyIKFYKQHPYHZVSF-UHFFFAOYSA-N
MW326.45 g/mol
LogP2.44
Rot. Bonds6

About 2-cyclopropyl-N-[1-[2-(4-methylpyrazol-1-yl)ethyl]piperidin-3-yl]pyrimidin-4-amine

2-cyclopropyl-N-[1-[2-(4-methylpyrazol-1-yl)ethyl]piperidin-3-yl]pyrimidin-4-amine (PubChem CID 172900475) has the molecular formula C18H26N6 and a molecular weight of 326.45 g/mol. Its IUPAC name is 2-cyclopropyl-N-[1-[2-(4-methylpyrazol-1-yl)ethyl]piperidin-3-yl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-cyclopropyl-N-[1-[2-(4-methylpyrazol-1-yl)ethyl]piperidin-3-yl]pyrimidin-4-amine
PubChem CID172900475
Molecular FormulaC18H26N6
Molecular Weight326.45 g/mol
Exact Mass326.22
IUPAC Name2-cyclopropyl-N-[1-[2-(4-methylpyrazol-1-yl)ethyl]piperidin-3-yl]pyrimidin-4-amine
SMILESCc1cnn(CCN2CCCC(Nc3ccnc(C4CC4)n3)C2)c1
InChIInChI=1S/C18H26N6/c1-14-11-20-24(12-14)10-9-23-8-2-3-16(13-23)21-17-6-7-19-18(22-17)15-4-5-15/h6-7,11-12,15-16H,2-5,8-10,13H2,1H3,(H,19,21,22)
InChIKeyIKFYKQHPYHZVSF-UHFFFAOYSA-N
XLogP2.44
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.45
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-N,2-N-dimethyl-4-N-[1-[2-(triazol-2-yl)ethyl]piperidin-3-yl]pyrimidine-2,4-diamine
CID 175649042
2-cyclopropyl-N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]piperidin-3-yl]pyrimidin-4-amine
CID 172901039
N-(1-ethylpiperidin-3-yl)-2-methylpyrimidin-4-amine
CID 62786064
2-cyclopropyl-N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]pyrimidin-4-amine
CID 133300100
2-cyclopropyl-N-[1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]pyrimidin-4-amine
CID 172900331
1-[2-(3-chloropyrrolidin-1-yl)ethyl]-4-methylpyrazole
CID 130516358
4-N-[1-[(2,4-dimethylphenyl)methyl]piperidin-3-yl]-2-N,2-N-dimethylpyrimidine-2,4-diamine
CID 172901908
3-[3-[(2-cyclopropylpyrimidin-4-yl)amino]piperidin-1-yl]-1-methylpyrazin-2-one
CID 154736082
4-methyl-1-[1-[2-(4-methylpyrazol-1-yl)ethyl]pyrrolidin-3-yl]pyrazole
CID 126947449
2-cyclopropyl-N-[1-[(4-nitrophenyl)methyl]pyrrolidin-3-yl]pyrimidin-4-amine
CID 172904212
2-N,2-N-dimethyl-4-N-[1-[(3-methyl-2-pyridinyl)methyl]piperidin-3-yl]pyrimidine-2,4-diamine
CID 175649508
1-cyclopentyl-4-[2-(4-methylpyrazol-1-yl)ethyl]piperazine
CID 171701763

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-[1-[2-(4-methylpyrazol-1-yl)ethyl]piperidin-3-yl]pyrimidin-4-amine?
The IUPAC name of 2-cyclopropyl-N-[1-[2-(4-methylpyrazol-1-yl)ethyl]piperidin-3-yl]pyrimidin-4-amine (CID 172900475) is 2-cyclopropyl-N-[1-[2-(4-methylpyrazol-1-yl)ethyl]piperidin-3-yl]pyrimidin-4-amine.
What is the SMILES notation for 2-cyclopropyl-N-[1-[2-(4-methylpyrazol-1-yl)ethyl]piperidin-3-yl]pyrimidin-4-amine?
The canonical SMILES for 2-cyclopropyl-N-[1-[2-(4-methylpyrazol-1-yl)ethyl]piperidin-3-yl]pyrimidin-4-amine is Cc1cnn(CCN2CCCC(Nc3ccnc(C4CC4)n3)C2)c1.
What is the InChIKey of 2-cyclopropyl-N-[1-[2-(4-methylpyrazol-1-yl)ethyl]piperidin-3-yl]pyrimidin-4-amine?
The InChIKey is IKFYKQHPYHZVSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N6/c1-14-11-20-24(12-14)10-9-23-8-2-3-16(13-23)21-17-6-7-19-18(22-17)15-4-5-15/h6-7,11-12,15-16H,2-5,8-10,13H2,1H3,(H,19,21,22).
What are the key properties of 2-cyclopropyl-N-[1-[2-(4-methylpyrazol-1-yl)ethyl]piperidin-3-yl]pyrimidin-4-amine?
2-cyclopropyl-N-[1-[2-(4-methylpyrazol-1-yl)ethyl]piperidin-3-yl]pyrimidin-4-amine has a molecular weight of 326.45 g/mol, XLogP of 2.44, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-[1-[2-(4-methylpyrazol-1-yl)ethyl]piperidin-3-yl]pyrimidin-4-amine is sourced from PubChem (CID 172900475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).