6-piperidin-4-yl-N-prop-2-enyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine

C18H23N5 — CID 56701175

IUPAC6-piperidin-4-yl-N-prop-2-enyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine
SMILESC=CCN(Cc1ccccn1)c1cc(C2CCNCC2)ncn1
InChIInChI=1S/C18H23N5/c1-2-11-23(13-16-5-3-4-8-20-16)18-12-17(21-14-22-18)15-6-9-19-10-7-15/h2-5,8,12,14-15,19H,1,6-7,9-11,13H2
InChIKeyLJRNVAMDJFATQY-UHFFFAOYSA-N
MW309.42 g/mol
LogP2.53
Rot. Bonds6

About 6-piperidin-4-yl-N-prop-2-enyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine

6-piperidin-4-yl-N-prop-2-enyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine (PubChem CID 56701175) has the molecular formula C18H23N5 and a molecular weight of 309.42 g/mol. Its IUPAC name is 6-piperidin-4-yl-N-prop-2-enyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-piperidin-4-yl-N-prop-2-enyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine
PubChem CID56701175
Molecular FormulaC18H23N5
Molecular Weight309.42 g/mol
Exact Mass309.20
IUPAC Name6-piperidin-4-yl-N-prop-2-enyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine
SMILESC=CCN(Cc1ccccn1)c1cc(C2CCNCC2)ncn1
InChIInChI=1S/C18H23N5/c1-2-11-23(13-16-5-3-4-8-20-16)18-12-17(21-14-22-18)15-6-9-19-10-7-15/h2-5,8,12,14-15,19H,1,6-7,9-11,13H2
InChIKeyLJRNVAMDJFATQY-UHFFFAOYSA-N
XLogP2.53
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.42
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 6-piperidin-4-yl-N-prop-2-enyl-N-(pyridin-2-ylmethyl)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 6-piperidin-4-yl-N-prop-2-enyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine?
The IUPAC name of 6-piperidin-4-yl-N-prop-2-enyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine (CID 56701175) is 6-piperidin-4-yl-N-prop-2-enyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-piperidin-4-yl-N-prop-2-enyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine?
The canonical SMILES for 6-piperidin-4-yl-N-prop-2-enyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine is C=CCN(Cc1ccccn1)c1cc(C2CCNCC2)ncn1.
What is the InChIKey of 6-piperidin-4-yl-N-prop-2-enyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine?
The InChIKey is LJRNVAMDJFATQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5/c1-2-11-23(13-16-5-3-4-8-20-16)18-12-17(21-14-22-18)15-6-9-19-10-7-15/h2-5,8,12,14-15,19H,1,6-7,9-11,13H2.
What are the key properties of 6-piperidin-4-yl-N-prop-2-enyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine?
6-piperidin-4-yl-N-prop-2-enyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine has a molecular weight of 309.42 g/mol, XLogP of 2.53, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-piperidin-4-yl-N-prop-2-enyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine is sourced from PubChem (CID 56701175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).