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

C17H24N6 — CID 44591316

IUPACN-cyclopropyl-4-[1-[2-(1H-pyrazol-4-yl)ethyl]piperidin-3-yl]pyrimidin-2-amine
SMILESc1cc(C2CCCN(CCc3cn[nH]c3)C2)nc(NC2CC2)n1
InChIInChI=1S/C17H24N6/c1-2-14(12-23(8-1)9-6-13-10-19-20-11-13)16-5-7-18-17(22-16)21-15-3-4-15/h5,7,10-11,14-15H,1-4,6,8-9,12H2,(H,19,20)(H,18,21,22)
InChIKeyXDMVOJGTQPXEOU-UHFFFAOYSA-N
MW312.42 g/mol
LogP2.20
Rot. Bonds6

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

N-cyclopropyl-4-[1-[2-(1H-pyrazol-4-yl)ethyl]piperidin-3-yl]pyrimidin-2-amine (PubChem CID 44591316) has the molecular formula C17H24N6 and a molecular weight of 312.42 g/mol. Its IUPAC name is N-cyclopropyl-4-[1-[2-(1H-pyrazol-4-yl)ethyl]piperidin-3-yl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-cyclopropyl-4-[1-[2-(1H-pyrazol-4-yl)ethyl]piperidin-3-yl]pyrimidin-2-amine
PubChem CID44591316
Molecular FormulaC17H24N6
Molecular Weight312.42 g/mol
Exact Mass312.21
IUPAC NameN-cyclopropyl-4-[1-[2-(1H-pyrazol-4-yl)ethyl]piperidin-3-yl]pyrimidin-2-amine
SMILESc1cc(C2CCCN(CCc3cn[nH]c3)C2)nc(NC2CC2)n1
InChIInChI=1S/C17H24N6/c1-2-14(12-23(8-1)9-6-13-10-19-20-11-13)16-5-7-18-17(22-16)21-15-3-4-15/h5,7,10-11,14-15H,1-4,6,8-9,12H2,(H,19,20)(H,18,21,22)
InChIKeyXDMVOJGTQPXEOU-UHFFFAOYSA-N
XLogP2.20
TPSA69.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[1-[2-(1H-pyrazol-4-yl)ethyl]piperidin-3-yl]pyrimidin-2-amine?
The IUPAC name of N-cyclopropyl-4-[1-[2-(1H-pyrazol-4-yl)ethyl]piperidin-3-yl]pyrimidin-2-amine (CID 44591316) is N-cyclopropyl-4-[1-[2-(1H-pyrazol-4-yl)ethyl]piperidin-3-yl]pyrimidin-2-amine.
What is the SMILES notation for N-cyclopropyl-4-[1-[2-(1H-pyrazol-4-yl)ethyl]piperidin-3-yl]pyrimidin-2-amine?
The canonical SMILES for N-cyclopropyl-4-[1-[2-(1H-pyrazol-4-yl)ethyl]piperidin-3-yl]pyrimidin-2-amine is c1cc(C2CCCN(CCc3cn[nH]c3)C2)nc(NC2CC2)n1.
What is the InChIKey of N-cyclopropyl-4-[1-[2-(1H-pyrazol-4-yl)ethyl]piperidin-3-yl]pyrimidin-2-amine?
The InChIKey is XDMVOJGTQPXEOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6/c1-2-14(12-23(8-1)9-6-13-10-19-20-11-13)16-5-7-18-17(22-16)21-15-3-4-15/h5,7,10-11,14-15H,1-4,6,8-9,12H2,(H,19,20)(H,18,21,22).
What are the key properties of N-cyclopropyl-4-[1-[2-(1H-pyrazol-4-yl)ethyl]piperidin-3-yl]pyrimidin-2-amine?
N-cyclopropyl-4-[1-[2-(1H-pyrazol-4-yl)ethyl]piperidin-3-yl]pyrimidin-2-amine has a molecular weight of 312.42 g/mol, XLogP of 2.20, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-[1-[2-(1H-pyrazol-4-yl)ethyl]piperidin-3-yl]pyrimidin-2-amine is sourced from PubChem (CID 44591316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).