4-N-(6-methoxypyrimidin-4-yl)-4-N-propylcyclohexane-1,4-diamine

C14H24N4O — CID 79111824

IUPAC4-N-(6-methoxypyrimidin-4-yl)-4-N-propylcyclohexane-1,4-diamine
SMILESCCCN(c1cc(OC)ncn1)C1CCC(N)CC1
InChIInChI=1S/C14H24N4O/c1-3-8-18(12-6-4-11(15)5-7-12)13-9-14(19-2)17-10-16-13/h9-12H,3-8,15H2,1-2H3
InChIKeyQZBPHUZGPSTPSN-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.97
Rot. Bonds5

About 4-N-(6-methoxypyrimidin-4-yl)-4-N-propylcyclohexane-1,4-diamine

4-N-(6-methoxypyrimidin-4-yl)-4-N-propylcyclohexane-1,4-diamine (PubChem CID 79111824) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is 4-N-(6-methoxypyrimidin-4-yl)-4-N-propylcyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-(6-methoxypyrimidin-4-yl)-4-N-propylcyclohexane-1,4-diamine
PubChem CID79111824
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC Name4-N-(6-methoxypyrimidin-4-yl)-4-N-propylcyclohexane-1,4-diamine
SMILESCCCN(c1cc(OC)ncn1)C1CCC(N)CC1
InChIInChI=1S/C14H24N4O/c1-3-8-18(12-6-4-11(15)5-7-12)13-9-14(19-2)17-10-16-13/h9-12H,3-8,15H2,1-2H3
InChIKeyQZBPHUZGPSTPSN-UHFFFAOYSA-N
XLogP1.97
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-N-(6-methoxypyrimidin-4-yl)-4-N-propylcyclohexane-1,4-diamine 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 4-N-(6-methoxypyrimidin-4-yl)-4-N-propylcyclohexane-1,4-diamine?
The IUPAC name of 4-N-(6-methoxypyrimidin-4-yl)-4-N-propylcyclohexane-1,4-diamine (CID 79111824) is 4-N-(6-methoxypyrimidin-4-yl)-4-N-propylcyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-(6-methoxypyrimidin-4-yl)-4-N-propylcyclohexane-1,4-diamine?
The canonical SMILES for 4-N-(6-methoxypyrimidin-4-yl)-4-N-propylcyclohexane-1,4-diamine is CCCN(c1cc(OC)ncn1)C1CCC(N)CC1.
What is the InChIKey of 4-N-(6-methoxypyrimidin-4-yl)-4-N-propylcyclohexane-1,4-diamine?
The InChIKey is QZBPHUZGPSTPSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O/c1-3-8-18(12-6-4-11(15)5-7-12)13-9-14(19-2)17-10-16-13/h9-12H,3-8,15H2,1-2H3.
What are the key properties of 4-N-(6-methoxypyrimidin-4-yl)-4-N-propylcyclohexane-1,4-diamine?
4-N-(6-methoxypyrimidin-4-yl)-4-N-propylcyclohexane-1,4-diamine has a molecular weight of 264.37 g/mol, XLogP of 1.97, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(6-methoxypyrimidin-4-yl)-4-N-propylcyclohexane-1,4-diamine is sourced from PubChem (CID 79111824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).