N-cyclopropyl-4-methyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-2-amine

C17H22N6 — CID 112907588

IUPACN-cyclopropyl-4-methyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-2-amine
SMILESCc1cc(N2CCN(c3ccccn3)CC2)nc(NC2CC2)n1
InChIInChI=1S/C17H22N6/c1-13-12-16(21-17(19-13)20-14-5-6-14)23-10-8-22(9-11-23)15-4-2-3-7-18-15/h2-4,7,12,14H,5-6,8-11H2,1H3,(H,19,20,21)
InChIKeyBEOUGEVBPQRFDM-UHFFFAOYSA-N
MW310.40 g/mol
LogP2.08
Rot. Bonds4

About N-cyclopropyl-4-methyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-2-amine

N-cyclopropyl-4-methyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-2-amine (PubChem CID 112907588) has the molecular formula C17H22N6 and a molecular weight of 310.40 g/mol. Its IUPAC name is N-cyclopropyl-4-methyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-cyclopropyl-4-methyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-2-amine
PubChem CID112907588
Molecular FormulaC17H22N6
Molecular Weight310.40 g/mol
Exact Mass310.19
IUPAC NameN-cyclopropyl-4-methyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-2-amine
SMILESCc1cc(N2CCN(c3ccccn3)CC2)nc(NC2CC2)n1
InChIInChI=1S/C17H22N6/c1-13-12-16(21-17(19-13)20-14-5-6-14)23-10-8-22(9-11-23)15-4-2-3-7-18-15/h2-4,7,12,14H,5-6,8-11H2,1H3,(H,19,20,21)
InChIKeyBEOUGEVBPQRFDM-UHFFFAOYSA-N
XLogP2.08
TPSA57.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-cycloheptyl-4-methyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-2-amine
CID 112923831
N-cyclopropyl-4-[4-(2-fluorophenyl)piperazin-1-yl]-6-methylpyrimidin-2-amine
CID 112907585
4-methyl-N-(pyridin-2-ylmethyl)-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-2-amine
CID 112919280
N-cyclopropyl-4-[4-(4-fluorophenyl)piperazin-1-yl]-6-methylpyrimidin-2-amine
CID 112907570
N-butyl-4-methyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-2-amine
CID 112908336
N-cycloheptyl-4-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-2-amine
CID 112898738
N-(2,5-dimethylphenyl)-4-methyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-2-amine
CID 112923847
[4-[2-(cyclohexylamino)-6-methylpyrimidin-4-yl]piperazin-1-yl]-phenylmethanone
CID 50946262
N-cyclopropyl-4-methyl-6-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrimidin-2-amine
CID 112907586
4-[4-(benzenesulfonyl)piperazin-1-yl]-N-cyclohexyl-6-methylpyrimidin-2-amine
CID 50945908
N-(furan-2-ylmethyl)-4-methyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-2-amine
CID 112915331
1-[2-(cyclopropylamino)-6-methylpyrimidin-4-yl]piperidine-4-carboxylic acid
CID 113194079

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-methyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-2-amine?
The IUPAC name of N-cyclopropyl-4-methyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-2-amine (CID 112907588) is N-cyclopropyl-4-methyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-2-amine.
What is the SMILES notation for N-cyclopropyl-4-methyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-2-amine?
The canonical SMILES for N-cyclopropyl-4-methyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-2-amine is Cc1cc(N2CCN(c3ccccn3)CC2)nc(NC2CC2)n1.
What is the InChIKey of N-cyclopropyl-4-methyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-2-amine?
The InChIKey is BEOUGEVBPQRFDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6/c1-13-12-16(21-17(19-13)20-14-5-6-14)23-10-8-22(9-11-23)15-4-2-3-7-18-15/h2-4,7,12,14H,5-6,8-11H2,1H3,(H,19,20,21).
What are the key properties of N-cyclopropyl-4-methyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-2-amine?
N-cyclopropyl-4-methyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-2-amine has a molecular weight of 310.40 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-methyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-2-amine is sourced from PubChem (CID 112907588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).