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

C20H28N6 — CID 112898738

IUPACN-cycloheptyl-4-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-2-amine
SMILESc1ccc(N2CCN(c3ccnc(NC4CCCCCC4)n3)CC2)nc1
InChIInChI=1S/C20H28N6/c1-2-4-8-17(7-3-1)23-20-22-12-10-19(24-20)26-15-13-25(14-16-26)18-9-5-6-11-21-18/h5-6,9-12,17H,1-4,7-8,13-16H2,(H,22,23,24)
InChIKeyITFVHYGYIYFEHH-UHFFFAOYSA-N
MW352.49 g/mol
LogP3.33
Rot. Bonds4

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

N-cycloheptyl-4-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-2-amine (PubChem CID 112898738) has the molecular formula C20H28N6 and a molecular weight of 352.49 g/mol. Its IUPAC name is N-cycloheptyl-4-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-cycloheptyl-4-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-2-amine
PubChem CID112898738
Molecular FormulaC20H28N6
Molecular Weight352.49 g/mol
Exact Mass352.24
IUPAC NameN-cycloheptyl-4-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-2-amine
SMILESc1ccc(N2CCN(c3ccnc(NC4CCCCCC4)n3)CC2)nc1
InChIInChI=1S/C20H28N6/c1-2-4-8-17(7-3-1)23-20-22-12-10-19(24-20)26-15-13-25(14-16-26)18-9-5-6-11-21-18/h5-6,9-12,17H,1-4,7-8,13-16H2,(H,22,23,24)
InChIKeyITFVHYGYIYFEHH-UHFFFAOYSA-N
XLogP3.33
TPSA57.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.49
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-cycloheptyl-4-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-cycloheptyl-4-methyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-2-amine
CID 112923831
N-cyclohexyl-4-(4-methylpiperidin-1-yl)pyrimidin-2-amine
CID 112884924
N-cyclohexyl-4-(4-ethylpiperazin-1-yl)pyrimidin-2-amine
CID 112884933
N-cyclohexyl-4-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrimidin-2-amine
CID 112884982
N-phenyl-4-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-2-amine
CID 112898748
4-(4-benzylpiperazin-1-yl)-N-cyclopropylpyrimidin-2-amine
CID 112882378
N-cyclopropyl-4-methyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-2-amine
CID 112907588
N-cyclopentyl-4-[4-(4-methoxyphenyl)piperazin-1-yl]pyrimidin-2-amine
CID 112884384
N-cyclopentyl-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine
CID 58227252
N-(pyridin-2-ylmethyl)-4-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-2-amine
CID 112893321
N-cyclopentyl-4-pyridin-2-ylpyrimidin-2-amine
CID 14347203
N-[4-(azepan-1-yl)pyrimidin-2-yl]-1-cycloheptylazepan-3-amine
CID 66904387

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-4-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-2-amine?
The IUPAC name of N-cycloheptyl-4-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-2-amine (CID 112898738) is N-cycloheptyl-4-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-2-amine.
What is the SMILES notation for N-cycloheptyl-4-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-2-amine?
The canonical SMILES for N-cycloheptyl-4-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-2-amine is c1ccc(N2CCN(c3ccnc(NC4CCCCCC4)n3)CC2)nc1.
What is the InChIKey of N-cycloheptyl-4-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-2-amine?
The InChIKey is ITFVHYGYIYFEHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N6/c1-2-4-8-17(7-3-1)23-20-22-12-10-19(24-20)26-15-13-25(14-16-26)18-9-5-6-11-21-18/h5-6,9-12,17H,1-4,7-8,13-16H2,(H,22,23,24).
What are the key properties of N-cycloheptyl-4-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-2-amine?
N-cycloheptyl-4-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-2-amine has a molecular weight of 352.49 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-4-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-2-amine is sourced from PubChem (CID 112898738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).