N-[(2-piperidin-1-ylpyrimidin-5-yl)methyl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]cyclopropanamine

C20H30N6 — CID 91777622

IUPACN-[(2-piperidin-1-ylpyrimidin-5-yl)methyl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]cyclopropanamine
SMILESCc1nn(C)c(C)c1CN(Cc1cnc(N2CCCCC2)nc1)C1CC1
InChIInChI=1S/C20H30N6/c1-15-19(16(2)24(3)23-15)14-26(18-7-8-18)13-17-11-21-20(22-12-17)25-9-5-4-6-10-25/h11-12,18H,4-10,13-14H2,1-3H3
InChIKeyKLQXOQIIBZBSQT-UHFFFAOYSA-N
MW354.50 g/mol
LogP2.98
Rot. Bonds6

About N-[(2-piperidin-1-ylpyrimidin-5-yl)methyl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]cyclopropanamine

N-[(2-piperidin-1-ylpyrimidin-5-yl)methyl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]cyclopropanamine (PubChem CID 91777622) has the molecular formula C20H30N6 and a molecular weight of 354.50 g/mol. Its IUPAC name is N-[(2-piperidin-1-ylpyrimidin-5-yl)methyl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(2-piperidin-1-ylpyrimidin-5-yl)methyl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]cyclopropanamine
PubChem CID91777622
Molecular FormulaC20H30N6
Molecular Weight354.50 g/mol
Exact Mass354.25
IUPAC NameN-[(2-piperidin-1-ylpyrimidin-5-yl)methyl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]cyclopropanamine
SMILESCc1nn(C)c(C)c1CN(Cc1cnc(N2CCCCC2)nc1)C1CC1
InChIInChI=1S/C20H30N6/c1-15-19(16(2)24(3)23-15)14-26(18-7-8-18)13-17-11-21-20(22-12-17)25-9-5-4-6-10-25/h11-12,18H,4-10,13-14H2,1-3H3
InChIKeyKLQXOQIIBZBSQT-UHFFFAOYSA-N
XLogP2.98
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.50
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-[(2-piperidin-1-ylpyrimidin-5-yl)methyl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]cyclopropanamine 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-[(2-piperidin-1-ylpyrimidin-5-yl)methyl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]cyclopropanamine?
The IUPAC name of N-[(2-piperidin-1-ylpyrimidin-5-yl)methyl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]cyclopropanamine (CID 91777622) is N-[(2-piperidin-1-ylpyrimidin-5-yl)methyl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]cyclopropanamine.
What is the SMILES notation for N-[(2-piperidin-1-ylpyrimidin-5-yl)methyl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]cyclopropanamine?
The canonical SMILES for N-[(2-piperidin-1-ylpyrimidin-5-yl)methyl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]cyclopropanamine is Cc1nn(C)c(C)c1CN(Cc1cnc(N2CCCCC2)nc1)C1CC1.
What is the InChIKey of N-[(2-piperidin-1-ylpyrimidin-5-yl)methyl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]cyclopropanamine?
The InChIKey is KLQXOQIIBZBSQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N6/c1-15-19(16(2)24(3)23-15)14-26(18-7-8-18)13-17-11-21-20(22-12-17)25-9-5-4-6-10-25/h11-12,18H,4-10,13-14H2,1-3H3.
What are the key properties of N-[(2-piperidin-1-ylpyrimidin-5-yl)methyl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]cyclopropanamine?
N-[(2-piperidin-1-ylpyrimidin-5-yl)methyl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]cyclopropanamine has a molecular weight of 354.50 g/mol, XLogP of 2.98, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-piperidin-1-ylpyrimidin-5-yl)methyl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]cyclopropanamine is sourced from PubChem (CID 91777622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).