4-[[cyclopropyl(pyrimidin-2-yl)amino]methyl]-2-methoxyphenol

C15H17N3O2 — CID 133497336

IUPAC4-[[cyclopropyl(pyrimidin-2-yl)amino]methyl]-2-methoxyphenol
SMILESCOc1cc(CN(c2ncccn2)C2CC2)ccc1O
InChIInChI=1S/C15H17N3O2/c1-20-14-9-11(3-6-13(14)19)10-18(12-4-5-12)15-16-7-2-8-17-15/h2-3,6-9,12,19H,4-5,10H2,1H3
InChIKeyYLVQKGSUNDQPHR-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.36
Rot. Bonds5

About 4-[[cyclopropyl(pyrimidin-2-yl)amino]methyl]-2-methoxyphenol

4-[[cyclopropyl(pyrimidin-2-yl)amino]methyl]-2-methoxyphenol (PubChem CID 133497336) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 4-[[cyclopropyl(pyrimidin-2-yl)amino]methyl]-2-methoxyphenol.

Molecular Properties

Compound Name4-[[cyclopropyl(pyrimidin-2-yl)amino]methyl]-2-methoxyphenol
PubChem CID133497336
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name4-[[cyclopropyl(pyrimidin-2-yl)amino]methyl]-2-methoxyphenol
SMILESCOc1cc(CN(c2ncccn2)C2CC2)ccc1O
InChIInChI=1S/C15H17N3O2/c1-20-14-9-11(3-6-13(14)19)10-18(12-4-5-12)15-16-7-2-8-17-15/h2-3,6-9,12,19H,4-5,10H2,1H3
InChIKeyYLVQKGSUNDQPHR-UHFFFAOYSA-N
XLogP2.36
TPSA58.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[[cyclopropyl(pyrimidin-2-yl)amino]methyl]-2-methoxyphenol 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-[[(3-bromo-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-cyclopropylamino]methyl]-2-methoxyphenol
CID 133497383
3-[[cyclopropyl-[(4-hydroxy-3-methoxyphenyl)methyl]amino]methyl]benzoic acid
CID 122033092
4-[[cyclopropyl-[(4-pyrazol-1-ylphenyl)methyl]amino]methyl]-2-methoxyphenol
CID 75504406
6-[cyclopropyl-[(4-hydroxy-3-methoxyphenyl)methyl]amino]-N-phenylpyridazine-3-carboxamide
CID 133497372
1-cyclopropyl-1-[(4-hydroxy-3-methoxyphenyl)methyl]-3-(1,3-thiazol-2-yl)urea
CID 60576885
2-methoxy-4-[[methyl(pyrrolidin-3-yl)amino]methyl]phenol
CID 63297913
1-cyclopropyl-1-[(4-hydroxy-3-methoxyphenyl)methyl]-3-(2-methoxyphenyl)urea
CID 60577311
N-cyclopropyl-N-[(4-hydroxy-3-methoxyphenyl)methyl]-4,5-dimethylfuran-2-carboxamide
CID 75435107
1-cyclopropyl-1-[(4-hydroxy-3-methoxyphenyl)methyl]-3-(2-methyl-4-pyrimidin-2-ylsulfanylphenyl)urea
CID 56576651
6-[cyclopropyl-[(4-hydroxy-3-methoxyphenyl)methyl]amino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137267481
4-[[azetidin-3-yl(ethyl)amino]methyl]-2-methoxyphenol
CID 66184417
N-cyclopropyl-N-[(4-hydroxy-3-methoxyphenyl)methyl]-2-(5-methyl-1H-pyrazol-3-yl)acetamide
CID 75393426

Frequently Asked Questions

What is the IUPAC name of 4-[[cyclopropyl(pyrimidin-2-yl)amino]methyl]-2-methoxyphenol?
The IUPAC name of 4-[[cyclopropyl(pyrimidin-2-yl)amino]methyl]-2-methoxyphenol (CID 133497336) is 4-[[cyclopropyl(pyrimidin-2-yl)amino]methyl]-2-methoxyphenol.
What is the SMILES notation for 4-[[cyclopropyl(pyrimidin-2-yl)amino]methyl]-2-methoxyphenol?
The canonical SMILES for 4-[[cyclopropyl(pyrimidin-2-yl)amino]methyl]-2-methoxyphenol is COc1cc(CN(c2ncccn2)C2CC2)ccc1O.
What is the InChIKey of 4-[[cyclopropyl(pyrimidin-2-yl)amino]methyl]-2-methoxyphenol?
The InChIKey is YLVQKGSUNDQPHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-20-14-9-11(3-6-13(14)19)10-18(12-4-5-12)15-16-7-2-8-17-15/h2-3,6-9,12,19H,4-5,10H2,1H3.
What are the key properties of 4-[[cyclopropyl(pyrimidin-2-yl)amino]methyl]-2-methoxyphenol?
4-[[cyclopropyl(pyrimidin-2-yl)amino]methyl]-2-methoxyphenol has a molecular weight of 271.32 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[cyclopropyl(pyrimidin-2-yl)amino]methyl]-2-methoxyphenol is sourced from PubChem (CID 133497336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).