N-[1-(2-imidazol-1-ylethyl)piperidin-4-yl]pyrimidin-4-amine

C14H20N6 — CID 126887338

IUPACN-[1-(2-imidazol-1-ylethyl)piperidin-4-yl]pyrimidin-4-amine
SMILESc1cc(NC2CCN(CCn3ccnc3)CC2)ncn1
InChIInChI=1S/C14H20N6/c1-4-15-11-17-14(1)18-13-2-6-19(7-3-13)9-10-20-8-5-16-12-20/h1,4-5,8,11-13H,2-3,6-7,9-10H2,(H,15,17,18)
InChIKeyFOEQCUYOUJOOGT-UHFFFAOYSA-N
MW272.36 g/mol
LogP1.25
Rot. Bonds5

About N-[1-(2-imidazol-1-ylethyl)piperidin-4-yl]pyrimidin-4-amine

N-[1-(2-imidazol-1-ylethyl)piperidin-4-yl]pyrimidin-4-amine (PubChem CID 126887338) has the molecular formula C14H20N6 and a molecular weight of 272.36 g/mol. Its IUPAC name is N-[1-(2-imidazol-1-ylethyl)piperidin-4-yl]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[1-(2-imidazol-1-ylethyl)piperidin-4-yl]pyrimidin-4-amine
PubChem CID126887338
Molecular FormulaC14H20N6
Molecular Weight272.36 g/mol
Exact Mass272.17
IUPAC NameN-[1-(2-imidazol-1-ylethyl)piperidin-4-yl]pyrimidin-4-amine
SMILESc1cc(NC2CCN(CCn3ccnc3)CC2)ncn1
InChIInChI=1S/C14H20N6/c1-4-15-11-17-14(1)18-13-2-6-19(7-3-13)9-10-20-8-5-16-12-20/h1,4-5,8,11-13H,2-3,6-7,9-10H2,(H,15,17,18)
InChIKeyFOEQCUYOUJOOGT-UHFFFAOYSA-N
XLogP1.25
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.36
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[1-(2-imidazol-1-ylethyl)piperidin-4-yl]pyrimidin-4-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-imidazol-1-ylethyl)piperidin-4-yl]pyrimidin-4-amine?
The IUPAC name of N-[1-(2-imidazol-1-ylethyl)piperidin-4-yl]pyrimidin-4-amine (CID 126887338) is N-[1-(2-imidazol-1-ylethyl)piperidin-4-yl]pyrimidin-4-amine.
What is the SMILES notation for N-[1-(2-imidazol-1-ylethyl)piperidin-4-yl]pyrimidin-4-amine?
The canonical SMILES for N-[1-(2-imidazol-1-ylethyl)piperidin-4-yl]pyrimidin-4-amine is c1cc(NC2CCN(CCn3ccnc3)CC2)ncn1.
What is the InChIKey of N-[1-(2-imidazol-1-ylethyl)piperidin-4-yl]pyrimidin-4-amine?
The InChIKey is FOEQCUYOUJOOGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6/c1-4-15-11-17-14(1)18-13-2-6-19(7-3-13)9-10-20-8-5-16-12-20/h1,4-5,8,11-13H,2-3,6-7,9-10H2,(H,15,17,18).
What are the key properties of N-[1-(2-imidazol-1-ylethyl)piperidin-4-yl]pyrimidin-4-amine?
N-[1-(2-imidazol-1-ylethyl)piperidin-4-yl]pyrimidin-4-amine has a molecular weight of 272.36 g/mol, XLogP of 1.25, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-imidazol-1-ylethyl)piperidin-4-yl]pyrimidin-4-amine is sourced from PubChem (CID 126887338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).