5-chloro-4-[1-(1-cyclopropylpiperidin-4-yl)pyrazol-4-yl]pyrimidin-2-amine

C15H19ClN6 — CID 171660645

IUPAC5-chloro-4-[1-(1-cyclopropylpiperidin-4-yl)pyrazol-4-yl]pyrimidin-2-amine
SMILESNc1ncc(Cl)c(-c2cnn(C3CCN(C4CC4)CC3)c2)n1
InChIInChI=1S/C15H19ClN6/c16-13-8-18-15(17)20-14(13)10-7-19-22(9-10)12-3-5-21(6-4-12)11-1-2-11/h7-9,11-12H,1-6H2,(H2,17,18,20)
InChIKeyVPQQECOGOVJAMO-UHFFFAOYSA-N
MW318.81 g/mol
LogP2.38
Rot. Bonds3

About 5-chloro-4-[1-(1-cyclopropylpiperidin-4-yl)pyrazol-4-yl]pyrimidin-2-amine

5-chloro-4-[1-(1-cyclopropylpiperidin-4-yl)pyrazol-4-yl]pyrimidin-2-amine (PubChem CID 171660645) has the molecular formula C15H19ClN6 and a molecular weight of 318.81 g/mol. Its IUPAC name is 5-chloro-4-[1-(1-cyclopropylpiperidin-4-yl)pyrazol-4-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-chloro-4-[1-(1-cyclopropylpiperidin-4-yl)pyrazol-4-yl]pyrimidin-2-amine
PubChem CID171660645
Molecular FormulaC15H19ClN6
Molecular Weight318.81 g/mol
Exact Mass318.14
IUPAC Name5-chloro-4-[1-(1-cyclopropylpiperidin-4-yl)pyrazol-4-yl]pyrimidin-2-amine
SMILESNc1ncc(Cl)c(-c2cnn(C3CCN(C4CC4)CC3)c2)n1
InChIInChI=1S/C15H19ClN6/c16-13-8-18-15(17)20-14(13)10-7-19-22(9-10)12-3-5-21(6-4-12)11-1-2-11/h7-9,11-12H,1-6H2,(H2,17,18,20)
InChIKeyVPQQECOGOVJAMO-UHFFFAOYSA-N
XLogP2.38
TPSA72.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.81
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2,5-dichloro-4-(1-cyclobutylpyrazol-4-yl)pyrimidine
CID 171627252
[4-(2-amino-5-chloropyrimidin-4-yl)pyrazol-1-yl]-piperidin-1-ylmethanone
CID 171660558
5-chloro-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyrimidin-2-amine
CID 80828314
5-chloro-4-N-(1-cyclopropylpyrrolidin-3-yl)pyrimidine-2,4-diamine
CID 80813553
1-[5-[[5-chloro-4-(1-cyclopentylpyrazol-4-yl)pyrimidin-2-yl]amino]-3-pyridinyl]pyrrolidin-2-one
CID 171627453
4-[5-chloro-2-[(1-cyclopropylpyrazol-4-yl)amino]pyrimidin-4-yl]phenol
CID 155203648
3-chloro-5-[1-(oxan-4-yl)pyrazol-4-yl]pyridin-2-amine
CID 166093962
3-[4-(4-quinoxalin-2-ylpyrazol-1-yl)piperidin-1-yl]cyclopentan-1-amine
CID 170778255
5-chloro-N-(2-methoxyphenyl)-4-[1-(oxan-4-yl)pyrazol-4-yl]pyrimidin-2-amine
CID 174053483
1-[4-[4-(2-chloropyrimidin-5-yl)pyrazol-1-yl]piperidin-1-yl]ethanone
CID 178082262
5-chloro-4-(1-phenylpyrazol-4-yl)pyrimidin-2-amine;oxan-3-ol
CID 171660077
5-(1-cyclobutylpyrazol-4-yl)pyridin-2-amine
CID 162343137

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[1-(1-cyclopropylpiperidin-4-yl)pyrazol-4-yl]pyrimidin-2-amine?
The IUPAC name of 5-chloro-4-[1-(1-cyclopropylpiperidin-4-yl)pyrazol-4-yl]pyrimidin-2-amine (CID 171660645) is 5-chloro-4-[1-(1-cyclopropylpiperidin-4-yl)pyrazol-4-yl]pyrimidin-2-amine.
What is the SMILES notation for 5-chloro-4-[1-(1-cyclopropylpiperidin-4-yl)pyrazol-4-yl]pyrimidin-2-amine?
The canonical SMILES for 5-chloro-4-[1-(1-cyclopropylpiperidin-4-yl)pyrazol-4-yl]pyrimidin-2-amine is Nc1ncc(Cl)c(-c2cnn(C3CCN(C4CC4)CC3)c2)n1.
What is the InChIKey of 5-chloro-4-[1-(1-cyclopropylpiperidin-4-yl)pyrazol-4-yl]pyrimidin-2-amine?
The InChIKey is VPQQECOGOVJAMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN6/c16-13-8-18-15(17)20-14(13)10-7-19-22(9-10)12-3-5-21(6-4-12)11-1-2-11/h7-9,11-12H,1-6H2,(H2,17,18,20).
What are the key properties of 5-chloro-4-[1-(1-cyclopropylpiperidin-4-yl)pyrazol-4-yl]pyrimidin-2-amine?
5-chloro-4-[1-(1-cyclopropylpiperidin-4-yl)pyrazol-4-yl]pyrimidin-2-amine has a molecular weight of 318.81 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[1-(1-cyclopropylpiperidin-4-yl)pyrazol-4-yl]pyrimidin-2-amine is sourced from PubChem (CID 171660645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).