3-[(6-methoxypyrimidin-4-yl)-methylamino]-1-phenylpropan-1-ol

C15H19N3O2 — CID 50969721

IUPAC3-[(6-methoxypyrimidin-4-yl)-methylamino]-1-phenylpropan-1-ol
SMILESCOc1cc(N(C)CCC(O)c2ccccc2)ncn1
InChIInChI=1S/C15H19N3O2/c1-18(14-10-15(20-2)17-11-16-14)9-8-13(19)12-6-4-3-5-7-12/h3-7,10-11,13,19H,8-9H2,1-2H3
InChIKeyGVMUJJFESJZYHY-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.05
Rot. Bonds6

About 3-[(6-methoxypyrimidin-4-yl)-methylamino]-1-phenylpropan-1-ol

3-[(6-methoxypyrimidin-4-yl)-methylamino]-1-phenylpropan-1-ol (PubChem CID 50969721) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 3-[(6-methoxypyrimidin-4-yl)-methylamino]-1-phenylpropan-1-ol.

Molecular Properties

Compound Name3-[(6-methoxypyrimidin-4-yl)-methylamino]-1-phenylpropan-1-ol
PubChem CID50969721
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name3-[(6-methoxypyrimidin-4-yl)-methylamino]-1-phenylpropan-1-ol
SMILESCOc1cc(N(C)CCC(O)c2ccccc2)ncn1
InChIInChI=1S/C15H19N3O2/c1-18(14-10-15(20-2)17-11-16-14)9-8-13(19)12-6-4-3-5-7-12/h3-7,10-11,13,19H,8-9H2,1-2H3
InChIKeyGVMUJJFESJZYHY-UHFFFAOYSA-N
XLogP2.05
TPSA58.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[(6-methoxypyrimidin-4-yl)-methylamino]-1-phenylpropan-1-ol 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

4-N-methyl-6-[(1S)-1-phenylethoxy]pyrimidine-2,4-diamine
CID 155548365
1-[4,6-Bis(phenylmethoxy)pyrimidin-5-yl]ethanol
CID 2865233
4-[4-(5-Fluoro-4-methoxy-pyrimidin-2-yl)-piperazin-1-yl]-1-(4-fluoro-phenyl)-butan-1-ol
CID 10474783
4-[2-(4-Fluorophenyl)ethoxy]-6-piperidin-1-ylpyrimidine
CID 164673350
6-[2-(4-fluorophenyl)ethoxy]-N-methyl-N-(oxolan-3-yl)pyrimidin-4-amine
CID 166626361
6-[2-(4-fluorophenyl)ethoxy]-N,N-dimethylpyrimidin-4-amine
CID 166628299
1-[6-[2-(4-Fluorophenyl)ethoxy]pyrimidin-4-yl]azepane
CID 166628525
4-[2-(4-Fluorophenyl)ethoxy]-6-pyrrolidin-1-ylpyrimidine
CID 166629336
(2S)-2-phenyl-4-[6-(3-phenylcyclobutyl)oxypyrimidin-4-yl]morpholine
CID 166634181
1-[2,4-Bis(phenylmethoxy)pyrimidin-5-yl]propan-1-ol
CID 295556
{1-(6-Methoxypyrimidin-4-yl)-4-[2-(trifluoromethyl)benzyl]piperidin-4-yl}methanol
CID 56759190
1-[2,4-Bis(benzyloxy)pyrimidin-5-yl]-2-methylpropan-1-ol
CID 289975

Frequently Asked Questions

What is the IUPAC name of 3-[(6-methoxypyrimidin-4-yl)-methylamino]-1-phenylpropan-1-ol?
The IUPAC name of 3-[(6-methoxypyrimidin-4-yl)-methylamino]-1-phenylpropan-1-ol (CID 50969721) is 3-[(6-methoxypyrimidin-4-yl)-methylamino]-1-phenylpropan-1-ol.
What is the SMILES notation for 3-[(6-methoxypyrimidin-4-yl)-methylamino]-1-phenylpropan-1-ol?
The canonical SMILES for 3-[(6-methoxypyrimidin-4-yl)-methylamino]-1-phenylpropan-1-ol is COc1cc(N(C)CCC(O)c2ccccc2)ncn1.
What is the InChIKey of 3-[(6-methoxypyrimidin-4-yl)-methylamino]-1-phenylpropan-1-ol?
The InChIKey is GVMUJJFESJZYHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-18(14-10-15(20-2)17-11-16-14)9-8-13(19)12-6-4-3-5-7-12/h3-7,10-11,13,19H,8-9H2,1-2H3.
What are the key properties of 3-[(6-methoxypyrimidin-4-yl)-methylamino]-1-phenylpropan-1-ol?
3-[(6-methoxypyrimidin-4-yl)-methylamino]-1-phenylpropan-1-ol has a molecular weight of 273.34 g/mol, XLogP of 2.05, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-methoxypyrimidin-4-yl)-methylamino]-1-phenylpropan-1-ol is sourced from PubChem (CID 50969721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).