N-cyclopropyl-2-methyl-N-[(1-methylimidazol-2-yl)methyl]-6-piperidin-3-ylpyrimidin-4-amine

C18H26N6 — CID 56706955

IUPACN-cyclopropyl-2-methyl-N-[(1-methylimidazol-2-yl)methyl]-6-piperidin-3-ylpyrimidin-4-amine
SMILESCc1nc(C2CCCNC2)cc(N(Cc2nccn2C)C2CC2)n1
InChIInChI=1S/C18H26N6/c1-13-21-16(14-4-3-7-19-11-14)10-17(22-13)24(15-5-6-15)12-18-20-8-9-23(18)2/h8-10,14-15,19H,3-7,11-12H2,1-2H3
InChIKeyVZSRFGRCNPKEJS-UHFFFAOYSA-N
MW326.45 g/mol
LogP2.15
Rot. Bonds5

About N-cyclopropyl-2-methyl-N-[(1-methylimidazol-2-yl)methyl]-6-piperidin-3-ylpyrimidin-4-amine

N-cyclopropyl-2-methyl-N-[(1-methylimidazol-2-yl)methyl]-6-piperidin-3-ylpyrimidin-4-amine (PubChem CID 56706955) has the molecular formula C18H26N6 and a molecular weight of 326.45 g/mol. Its IUPAC name is N-cyclopropyl-2-methyl-N-[(1-methylimidazol-2-yl)methyl]-6-piperidin-3-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-cyclopropyl-2-methyl-N-[(1-methylimidazol-2-yl)methyl]-6-piperidin-3-ylpyrimidin-4-amine
PubChem CID56706955
Molecular FormulaC18H26N6
Molecular Weight326.45 g/mol
Exact Mass326.22
IUPAC NameN-cyclopropyl-2-methyl-N-[(1-methylimidazol-2-yl)methyl]-6-piperidin-3-ylpyrimidin-4-amine
SMILESCc1nc(C2CCCNC2)cc(N(Cc2nccn2C)C2CC2)n1
InChIInChI=1S/C18H26N6/c1-13-21-16(14-4-3-7-19-11-14)10-17(22-13)24(15-5-6-15)12-18-20-8-9-23(18)2/h8-10,14-15,19H,3-7,11-12H2,1-2H3
InChIKeyVZSRFGRCNPKEJS-UHFFFAOYSA-N
XLogP2.15
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.45
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-cyclopropyl-2-methyl-N-[(1-methylimidazol-2-yl)methyl]-6-piperidin-3-ylpyrimidin-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-cyclopropyl-2-methyl-N-[(1-methylimidazol-2-yl)methyl]-6-piperidin-3-ylpyrimidin-4-amine?
The IUPAC name of N-cyclopropyl-2-methyl-N-[(1-methylimidazol-2-yl)methyl]-6-piperidin-3-ylpyrimidin-4-amine (CID 56706955) is N-cyclopropyl-2-methyl-N-[(1-methylimidazol-2-yl)methyl]-6-piperidin-3-ylpyrimidin-4-amine.
What is the SMILES notation for N-cyclopropyl-2-methyl-N-[(1-methylimidazol-2-yl)methyl]-6-piperidin-3-ylpyrimidin-4-amine?
The canonical SMILES for N-cyclopropyl-2-methyl-N-[(1-methylimidazol-2-yl)methyl]-6-piperidin-3-ylpyrimidin-4-amine is Cc1nc(C2CCCNC2)cc(N(Cc2nccn2C)C2CC2)n1.
What is the InChIKey of N-cyclopropyl-2-methyl-N-[(1-methylimidazol-2-yl)methyl]-6-piperidin-3-ylpyrimidin-4-amine?
The InChIKey is VZSRFGRCNPKEJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N6/c1-13-21-16(14-4-3-7-19-11-14)10-17(22-13)24(15-5-6-15)12-18-20-8-9-23(18)2/h8-10,14-15,19H,3-7,11-12H2,1-2H3.
What are the key properties of N-cyclopropyl-2-methyl-N-[(1-methylimidazol-2-yl)methyl]-6-piperidin-3-ylpyrimidin-4-amine?
N-cyclopropyl-2-methyl-N-[(1-methylimidazol-2-yl)methyl]-6-piperidin-3-ylpyrimidin-4-amine has a molecular weight of 326.45 g/mol, XLogP of 2.15, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-methyl-N-[(1-methylimidazol-2-yl)methyl]-6-piperidin-3-ylpyrimidin-4-amine is sourced from PubChem (CID 56706955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).