[2-[(4-methylphenoxy)methyl]pyrimidin-5-yl]methanamine

C13H15N3O — CID 169243482

IUPAC[2-[(4-methylphenoxy)methyl]pyrimidin-5-yl]methanamine
SMILESCc1ccc(OCc2ncc(CN)cn2)cc1
InChIInChI=1S/C13H15N3O/c1-10-2-4-12(5-3-10)17-9-13-15-7-11(6-14)8-16-13/h2-5,7-8H,6,9,14H2,1H3
InChIKeyCJZLPANRUIQWQQ-UHFFFAOYSA-N
MW229.28 g/mol
LogP1.82
Rot. Bonds4

About [2-[(4-methylphenoxy)methyl]pyrimidin-5-yl]methanamine

[2-[(4-methylphenoxy)methyl]pyrimidin-5-yl]methanamine (PubChem CID 169243482) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is [2-[(4-methylphenoxy)methyl]pyrimidin-5-yl]methanamine.

Molecular Properties

Compound Name[2-[(4-methylphenoxy)methyl]pyrimidin-5-yl]methanamine
PubChem CID169243482
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC Name[2-[(4-methylphenoxy)methyl]pyrimidin-5-yl]methanamine
SMILESCc1ccc(OCc2ncc(CN)cn2)cc1
InChIInChI=1S/C13H15N3O/c1-10-2-4-12(5-3-10)17-9-13-15-7-11(6-14)8-16-13/h2-5,7-8H,6,9,14H2,1H3
InChIKeyCJZLPANRUIQWQQ-UHFFFAOYSA-N
XLogP1.82
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [2-[(4-methylphenoxy)methyl]pyrimidin-5-yl]methanamine 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

1-methyl-4-[[4-[(4-methylphenoxy)methyl]phenoxy]methyl]benzene
CID 59641480
[2-methyl-5-[(4-methylphenoxy)methyl]-1,2,4-triazol-3-yl]methanamine
CID 82475269
5-methyl-2-[2-[4-[4-[(4-methylphenoxy)methyl]phenyl]phenyl]ethyl]pyrimidine
CID 59265321
fluoromethane;1-methyl-4-phenylmethoxybenzene
CID 91304163
2-[4-[(4-methylphenoxy)methyl]phenyl]propan-1-amine
CID 105350241
3-[(4-methylphenoxy)methyl]-1,2,4-thiadiazol-5-amine
CID 131519657
5-chloro-6-[(4-methylphenoxy)methyl]pyridin-2-amine
CID 62887232
[3-[(4-methylphenoxy)methyl]-2-pyridinyl]methanamine
CID 62893839
5-[(4-methylphenoxy)methyl]-2-(trifluoromethyl)pyridine
CID 59391394
[2-[(4-methylphenoxy)methyl]-3-pyridinyl]methanamine
CID 105485819
4-[(5-aminopyrimidin-2-yl)methoxy]phenol
CID 105470751
[4-(4-methylphenyl)phenoxy]methanamine
CID 148562944

Frequently Asked Questions

What is the IUPAC name of [2-[(4-methylphenoxy)methyl]pyrimidin-5-yl]methanamine?
The IUPAC name of [2-[(4-methylphenoxy)methyl]pyrimidin-5-yl]methanamine (CID 169243482) is [2-[(4-methylphenoxy)methyl]pyrimidin-5-yl]methanamine.
What is the SMILES notation for [2-[(4-methylphenoxy)methyl]pyrimidin-5-yl]methanamine?
The canonical SMILES for [2-[(4-methylphenoxy)methyl]pyrimidin-5-yl]methanamine is Cc1ccc(OCc2ncc(CN)cn2)cc1.
What is the InChIKey of [2-[(4-methylphenoxy)methyl]pyrimidin-5-yl]methanamine?
The InChIKey is CJZLPANRUIQWQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c1-10-2-4-12(5-3-10)17-9-13-15-7-11(6-14)8-16-13/h2-5,7-8H,6,9,14H2,1H3.
What are the key properties of [2-[(4-methylphenoxy)methyl]pyrimidin-5-yl]methanamine?
[2-[(4-methylphenoxy)methyl]pyrimidin-5-yl]methanamine has a molecular weight of 229.28 g/mol, XLogP of 1.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-methylphenoxy)methyl]pyrimidin-5-yl]methanamine is sourced from PubChem (CID 169243482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).