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

C18H24N6 — CID 112855879

IUPACN-cyclopentyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine
SMILESc1ccc(N2CCN(c3cc(NC4CCCC4)ncn3)CC2)nc1
InChIInChI=1S/C18H24N6/c1-2-6-15(5-1)22-16-13-18(21-14-20-16)24-11-9-23(10-12-24)17-7-3-4-8-19-17/h3-4,7-8,13-15H,1-2,5-6,9-12H2,(H,20,21,22)
InChIKeySYCRXUIYBAAELD-UHFFFAOYSA-N
MW324.43 g/mol
LogP2.55
Rot. Bonds4

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

N-cyclopentyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine (PubChem CID 112855879) has the molecular formula C18H24N6 and a molecular weight of 324.43 g/mol. Its IUPAC name is N-cyclopentyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-cyclopentyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine
PubChem CID112855879
Molecular FormulaC18H24N6
Molecular Weight324.43 g/mol
Exact Mass324.21
IUPAC NameN-cyclopentyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine
SMILESc1ccc(N2CCN(c3cc(NC4CCCC4)ncn3)CC2)nc1
InChIInChI=1S/C18H24N6/c1-2-6-15(5-1)22-16-13-18(21-14-20-16)24-11-9-23(10-12-24)17-7-3-4-8-19-17/h3-4,7-8,13-15H,1-2,5-6,9-12H2,(H,20,21,22)
InChIKeySYCRXUIYBAAELD-UHFFFAOYSA-N
XLogP2.55
TPSA57.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-cycloheptyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 112863363
4-[6-(cyclopentylamino)pyrimidin-4-yl]piperazine-1-carbaldehyde
CID 112855829
6-(4-pyridin-2-ylpiperazin-1-yl)-N-(2,4,6-trimethylphenyl)pyrimidin-4-amine
CID 112863311
1-[6-(cyclobutylamino)pyrimidin-4-yl]piperidin-4-ol
CID 115265259
4-methoxy-N-(1-pyridin-2-ylpiperidin-4-yl)pyridin-2-amine
CID 75498023
6-cyclopropyl-N-(1-pyridin-2-ylazetidin-3-yl)pyrimidin-4-amine
CID 154575536
N-cycloheptyl-4-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-2-amine
CID 112898738
N-cyclopropyl-6-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidin-4-amine
CID 112854724
5-methyl-N-[6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-yl]-1,2-oxazol-3-amine
CID 112863359
N-cycloheptyl-4-methyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-2-amine
CID 112923831
N-(2-methoxyethyl)-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 112856705
[1-[6-(cyclobutylamino)pyrimidin-4-yl]piperidin-4-yl]methanol
CID 115265154

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine?
The IUPAC name of N-cyclopentyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine (CID 112855879) is N-cyclopentyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine.
What is the SMILES notation for N-cyclopentyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine?
The canonical SMILES for N-cyclopentyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine is c1ccc(N2CCN(c3cc(NC4CCCC4)ncn3)CC2)nc1.
What is the InChIKey of N-cyclopentyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine?
The InChIKey is SYCRXUIYBAAELD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6/c1-2-6-15(5-1)22-16-13-18(21-14-20-16)24-11-9-23(10-12-24)17-7-3-4-8-19-17/h3-4,7-8,13-15H,1-2,5-6,9-12H2,(H,20,21,22).
What are the key properties of N-cyclopentyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine?
N-cyclopentyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine has a molecular weight of 324.43 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine is sourced from PubChem (CID 112855879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).