5-[[4-methyl-4-[[(2-phenylcyclopropylidene)amino]methyl]piperidin-1-yl]methyl]pyrimidin-2-amine

C21H27N5 — CID 163481953

IUPAC5-[[4-methyl-4-[[(2-phenylcyclopropylidene)amino]methyl]piperidin-1-yl]methyl]pyrimidin-2-amine
SMILESCC1(C/N=C2\CC2c2ccccc2)CCN(Cc2cnc(N)nc2)CC1
InChIInChI=1S/C21H27N5/c1-21(15-25-19-11-18(19)17-5-3-2-4-6-17)7-9-26(10-8-21)14-16-12-23-20(22)24-13-16/h2-6,12-13,18H,7-11,14-15H2,1H3,(H2,22,23,24)/b25-19+
InChIKeyCFHVWQDHSZYBAJ-NCELDCMTSA-N
MW349.48 g/mol
LogP3.29
Rot. Bonds5

About 5-[[4-methyl-4-[[(2-phenylcyclopropylidene)amino]methyl]piperidin-1-yl]methyl]pyrimidin-2-amine

5-[[4-methyl-4-[[(2-phenylcyclopropylidene)amino]methyl]piperidin-1-yl]methyl]pyrimidin-2-amine (PubChem CID 163481953) has the molecular formula C21H27N5 and a molecular weight of 349.48 g/mol. Its IUPAC name is 5-[[4-methyl-4-[[(2-phenylcyclopropylidene)amino]methyl]piperidin-1-yl]methyl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-[[4-methyl-4-[[(2-phenylcyclopropylidene)amino]methyl]piperidin-1-yl]methyl]pyrimidin-2-amine
PubChem CID163481953
Molecular FormulaC21H27N5
Molecular Weight349.48 g/mol
Exact Mass349.23
IUPAC Name5-[[4-methyl-4-[[(2-phenylcyclopropylidene)amino]methyl]piperidin-1-yl]methyl]pyrimidin-2-amine
SMILESCC1(C/N=C2\CC2c2ccccc2)CCN(Cc2cnc(N)nc2)CC1
InChIInChI=1S/C21H27N5/c1-21(15-25-19-11-18(19)17-5-3-2-4-6-17)7-9-26(10-8-21)14-16-12-23-20(22)24-13-16/h2-6,12-13,18H,7-11,14-15H2,1H3,(H2,22,23,24)/b25-19+
InChIKeyCFHVWQDHSZYBAJ-NCELDCMTSA-N
XLogP3.29
TPSA67.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 5-[[4-methyl-4-[[(2-phenylcyclopropylidene)amino]methyl]piperidin-1-yl]methyl]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

Frequently Asked Questions

What is the IUPAC name of 5-[[4-methyl-4-[[(2-phenylcyclopropylidene)amino]methyl]piperidin-1-yl]methyl]pyrimidin-2-amine?
The IUPAC name of 5-[[4-methyl-4-[[(2-phenylcyclopropylidene)amino]methyl]piperidin-1-yl]methyl]pyrimidin-2-amine (CID 163481953) is 5-[[4-methyl-4-[[(2-phenylcyclopropylidene)amino]methyl]piperidin-1-yl]methyl]pyrimidin-2-amine.
What is the SMILES notation for 5-[[4-methyl-4-[[(2-phenylcyclopropylidene)amino]methyl]piperidin-1-yl]methyl]pyrimidin-2-amine?
The canonical SMILES for 5-[[4-methyl-4-[[(2-phenylcyclopropylidene)amino]methyl]piperidin-1-yl]methyl]pyrimidin-2-amine is CC1(C/N=C2\CC2c2ccccc2)CCN(Cc2cnc(N)nc2)CC1.
What is the InChIKey of 5-[[4-methyl-4-[[(2-phenylcyclopropylidene)amino]methyl]piperidin-1-yl]methyl]pyrimidin-2-amine?
The InChIKey is CFHVWQDHSZYBAJ-NCELDCMTSA-N. The full InChI is InChI=1S/C21H27N5/c1-21(15-25-19-11-18(19)17-5-3-2-4-6-17)7-9-26(10-8-21)14-16-12-23-20(22)24-13-16/h2-6,12-13,18H,7-11,14-15H2,1H3,(H2,22,23,24)/b25-19+.
What are the key properties of 5-[[4-methyl-4-[[(2-phenylcyclopropylidene)amino]methyl]piperidin-1-yl]methyl]pyrimidin-2-amine?
5-[[4-methyl-4-[[(2-phenylcyclopropylidene)amino]methyl]piperidin-1-yl]methyl]pyrimidin-2-amine has a molecular weight of 349.48 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-methyl-4-[[(2-phenylcyclopropylidene)amino]methyl]piperidin-1-yl]methyl]pyrimidin-2-amine is sourced from PubChem (CID 163481953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).