N-[cyclohexen-1-yl-(6-methoxypyrimidin-4-yl)methyl]propan-1-amine

C15H23N3O — CID 106654794

IUPACN-[cyclohexen-1-yl-(6-methoxypyrimidin-4-yl)methyl]propan-1-amine
SMILESCCCNC(C1=CCCCC1)c1cc(OC)ncn1
InChIInChI=1S/C15H23N3O/c1-3-9-16-15(12-7-5-4-6-8-12)13-10-14(19-2)18-11-17-13/h7,10-11,15-16H,3-6,8-9H2,1-2H3
InChIKeyFACZWTGQSYDIBY-UHFFFAOYSA-N
MW261.37 g/mol
LogP3.03
Rot. Bonds6

About N-[cyclohexen-1-yl-(6-methoxypyrimidin-4-yl)methyl]propan-1-amine

N-[cyclohexen-1-yl-(6-methoxypyrimidin-4-yl)methyl]propan-1-amine (PubChem CID 106654794) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is N-[cyclohexen-1-yl-(6-methoxypyrimidin-4-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[cyclohexen-1-yl-(6-methoxypyrimidin-4-yl)methyl]propan-1-amine
PubChem CID106654794
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC NameN-[cyclohexen-1-yl-(6-methoxypyrimidin-4-yl)methyl]propan-1-amine
SMILESCCCNC(C1=CCCCC1)c1cc(OC)ncn1
InChIInChI=1S/C15H23N3O/c1-3-9-16-15(12-7-5-4-6-8-12)13-10-14(19-2)18-11-17-13/h7,10-11,15-16H,3-6,8-9H2,1-2H3
InChIKeyFACZWTGQSYDIBY-UHFFFAOYSA-N
XLogP3.03
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[cyclohexen-1-yl-(6-methoxypyrimidin-4-yl)methyl]propan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[cyclopropyl-(6-methoxypyrimidin-4-yl)methyl]propan-1-amine
CID 102952243
N-[(4-fluorophenyl)-(6-methoxypyrimidin-4-yl)methyl]propan-1-amine
CID 102952263
N-[cyclohexen-1-yl-(5-fluoro-2-pyridinyl)methyl]propan-1-amine
CID 106653894
N-[cyclohexen-1-yl-(3,4-dimethoxyphenyl)methyl]propan-1-amine
CID 62079043
N-[cyclohexen-1-yl-(6-methoxypyridazin-3-yl)methyl]ethanamine
CID 106654822
N-[[(1E)-cycloocten-1-yl]-(6-methoxypyridazin-3-yl)methyl]ethanamine
CID 106654823
N-[cyclohepten-1-yl-(6-methyl-2-pyridinyl)methyl]propan-1-amine
CID 106652963
N-[(2-ethylcyclohexyl)-(6-methoxypyrimidin-4-yl)methyl]propan-1-amine
CID 102952354
N-[(6-methoxypyrimidin-4-yl)-(4-methyl-3-pyridinyl)methyl]propan-1-amine
CID 102952316
N-[(3-chloro-4-methylphenyl)-(6-methoxypyrimidin-4-yl)methyl]propan-1-amine
CID 107560806
N-[(6-methoxypyrimidin-4-yl)-pyridin-3-ylmethyl]propan-1-amine
CID 102952423
N-[cyclopenten-1-yl(1,3-thiazol-4-yl)methyl]propan-1-amine
CID 114987412

Frequently Asked Questions

What is the IUPAC name of N-[cyclohexen-1-yl-(6-methoxypyrimidin-4-yl)methyl]propan-1-amine?
The IUPAC name of N-[cyclohexen-1-yl-(6-methoxypyrimidin-4-yl)methyl]propan-1-amine (CID 106654794) is N-[cyclohexen-1-yl-(6-methoxypyrimidin-4-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[cyclohexen-1-yl-(6-methoxypyrimidin-4-yl)methyl]propan-1-amine?
The canonical SMILES for N-[cyclohexen-1-yl-(6-methoxypyrimidin-4-yl)methyl]propan-1-amine is CCCNC(C1=CCCCC1)c1cc(OC)ncn1.
What is the InChIKey of N-[cyclohexen-1-yl-(6-methoxypyrimidin-4-yl)methyl]propan-1-amine?
The InChIKey is FACZWTGQSYDIBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-3-9-16-15(12-7-5-4-6-8-12)13-10-14(19-2)18-11-17-13/h7,10-11,15-16H,3-6,8-9H2,1-2H3.
What are the key properties of N-[cyclohexen-1-yl-(6-methoxypyrimidin-4-yl)methyl]propan-1-amine?
N-[cyclohexen-1-yl-(6-methoxypyrimidin-4-yl)methyl]propan-1-amine has a molecular weight of 261.37 g/mol, XLogP of 3.03, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclohexen-1-yl-(6-methoxypyrimidin-4-yl)methyl]propan-1-amine is sourced from PubChem (CID 106654794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).