[1-(aminomethyl)-4-propylcyclohexyl]-pyrimidin-4-ylmethanol

C15H25N3O — CID 79125724

IUPAC[1-(aminomethyl)-4-propylcyclohexyl]-pyrimidin-4-ylmethanol
SMILESCCCC1CCC(CN)(C(O)c2ccncn2)CC1
InChIInChI=1S/C15H25N3O/c1-2-3-12-4-7-15(10-16,8-5-12)14(19)13-6-9-17-11-18-13/h6,9,11-12,14,19H,2-5,7-8,10,16H2,1H3
InChIKeyHVHYRYHFDAVNML-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.45
Rot. Bonds5

About [1-(aminomethyl)-4-propylcyclohexyl]-pyrimidin-4-ylmethanol

[1-(aminomethyl)-4-propylcyclohexyl]-pyrimidin-4-ylmethanol (PubChem CID 79125724) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is [1-(aminomethyl)-4-propylcyclohexyl]-pyrimidin-4-ylmethanol.

Molecular Properties

Compound Name[1-(aminomethyl)-4-propylcyclohexyl]-pyrimidin-4-ylmethanol
PubChem CID79125724
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name[1-(aminomethyl)-4-propylcyclohexyl]-pyrimidin-4-ylmethanol
SMILESCCCC1CCC(CN)(C(O)c2ccncn2)CC1
InChIInChI=1S/C15H25N3O/c1-2-3-12-4-7-15(10-16,8-5-12)14(19)13-6-9-17-11-18-13/h6,9,11-12,14,19H,2-5,7-8,10,16H2,1H3
InChIKeyHVHYRYHFDAVNML-UHFFFAOYSA-N
XLogP2.45
TPSA72.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [1-(aminomethyl)-4-propylcyclohexyl]-pyrimidin-4-ylmethanol 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 [1-(aminomethyl)-4-propylcyclohexyl]-pyrimidin-4-ylmethanol?
The IUPAC name of [1-(aminomethyl)-4-propylcyclohexyl]-pyrimidin-4-ylmethanol (CID 79125724) is [1-(aminomethyl)-4-propylcyclohexyl]-pyrimidin-4-ylmethanol.
What is the SMILES notation for [1-(aminomethyl)-4-propylcyclohexyl]-pyrimidin-4-ylmethanol?
The canonical SMILES for [1-(aminomethyl)-4-propylcyclohexyl]-pyrimidin-4-ylmethanol is CCCC1CCC(CN)(C(O)c2ccncn2)CC1.
What is the InChIKey of [1-(aminomethyl)-4-propylcyclohexyl]-pyrimidin-4-ylmethanol?
The InChIKey is HVHYRYHFDAVNML-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-2-3-12-4-7-15(10-16,8-5-12)14(19)13-6-9-17-11-18-13/h6,9,11-12,14,19H,2-5,7-8,10,16H2,1H3.
What are the key properties of [1-(aminomethyl)-4-propylcyclohexyl]-pyrimidin-4-ylmethanol?
[1-(aminomethyl)-4-propylcyclohexyl]-pyrimidin-4-ylmethanol has a molecular weight of 263.38 g/mol, XLogP of 2.45, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(aminomethyl)-4-propylcyclohexyl]-pyrimidin-4-ylmethanol is sourced from PubChem (CID 79125724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).