1-[(4-methoxypyrimidin-2-yl)amino]-3-phenylpropan-2-ol

C14H17N3O2 — CID 133289929

IUPAC1-[(4-methoxypyrimidin-2-yl)amino]-3-phenylpropan-2-ol
SMILESCOc1ccnc(NCC(O)Cc2ccccc2)n1
InChIInChI=1S/C14H17N3O2/c1-19-13-7-8-15-14(17-13)16-10-12(18)9-11-5-3-2-4-6-11/h2-8,12,18H,9-10H2,1H3,(H,15,16,17)
InChIKeyKHJMPJHWJPTQGZ-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.50
Rot. Bonds6

About 1-[(4-methoxypyrimidin-2-yl)amino]-3-phenylpropan-2-ol

1-[(4-methoxypyrimidin-2-yl)amino]-3-phenylpropan-2-ol (PubChem CID 133289929) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 1-[(4-methoxypyrimidin-2-yl)amino]-3-phenylpropan-2-ol.

Molecular Properties

Compound Name1-[(4-methoxypyrimidin-2-yl)amino]-3-phenylpropan-2-ol
PubChem CID133289929
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name1-[(4-methoxypyrimidin-2-yl)amino]-3-phenylpropan-2-ol
SMILESCOc1ccnc(NCC(O)Cc2ccccc2)n1
InChIInChI=1S/C14H17N3O2/c1-19-13-7-8-15-14(17-13)16-10-12(18)9-11-5-3-2-4-6-11/h2-8,12,18H,9-10H2,1H3,(H,15,16,17)
InChIKeyKHJMPJHWJPTQGZ-UHFFFAOYSA-N
XLogP1.50
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[(4-methoxypyrimidin-2-yl)amino]-3-phenylpropan-2-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

3-amino-4-[(4-methoxypyrimidin-2-yl)amino]butan-2-ol
CID 64541292
N-(3-chloro-2-methylpropyl)-4-methoxypyrimidin-2-amine
CID 65036818
(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[(4-methoxypyrimidin-2-yl)amino]propan-2-ol
CID 32806067
2-[(4-methoxypyrimidin-2-yl)amino]-N,N-dimethyl-3-phenylpropanamide
CID 75433246
1-[(4-methoxypyrimidin-2-yl)amino]pentan-3-ol
CID 115702045
2-[(4-methoxypyrimidin-2-yl)amino]-1-(3-methylphenyl)ethanol
CID 133375715
(1R)-1-[4-[[(4-methoxypyrimidin-2-yl)amino]methyl]phenyl]ethanol
CID 94197015
N-ethyl-4-methoxypyrimidin-2-amine
CID 20510275
1-(4-methoxyphenyl)-N'-(4-methoxypyrimidin-2-yl)-N,N-dimethylethane-1,2-diamine
CID 47012924
N-[2-(furan-2-yl)-2-methoxyethyl]-4-methoxypyrimidin-2-amine
CID 172904275
4-methoxy-N-[(1-phenyl-3-propan-2-ylpyrazol-4-yl)methyl]pyrimidin-2-amine
CID 133380147
2-[(4-methoxypyrimidin-2-yl)amino]-2-phenylethanol
CID 112689970

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methoxypyrimidin-2-yl)amino]-3-phenylpropan-2-ol?
The IUPAC name of 1-[(4-methoxypyrimidin-2-yl)amino]-3-phenylpropan-2-ol (CID 133289929) is 1-[(4-methoxypyrimidin-2-yl)amino]-3-phenylpropan-2-ol.
What is the SMILES notation for 1-[(4-methoxypyrimidin-2-yl)amino]-3-phenylpropan-2-ol?
The canonical SMILES for 1-[(4-methoxypyrimidin-2-yl)amino]-3-phenylpropan-2-ol is COc1ccnc(NCC(O)Cc2ccccc2)n1.
What is the InChIKey of 1-[(4-methoxypyrimidin-2-yl)amino]-3-phenylpropan-2-ol?
The InChIKey is KHJMPJHWJPTQGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-19-13-7-8-15-14(17-13)16-10-12(18)9-11-5-3-2-4-6-11/h2-8,12,18H,9-10H2,1H3,(H,15,16,17).
What are the key properties of 1-[(4-methoxypyrimidin-2-yl)amino]-3-phenylpropan-2-ol?
1-[(4-methoxypyrimidin-2-yl)amino]-3-phenylpropan-2-ol has a molecular weight of 259.31 g/mol, XLogP of 1.50, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methoxypyrimidin-2-yl)amino]-3-phenylpropan-2-ol is sourced from PubChem (CID 133289929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).