4-[4-(ethylaminomethyl)-6-methylpyrimidin-2-yl]phenol

C14H17N3O — CID 136889379

IUPAC4-[4-(ethylaminomethyl)-6-methylpyrimidin-2-yl]phenol
SMILESCCNCc1cc(C)nc(-c2ccc(O)cc2)n1
InChIInChI=1S/C14H17N3O/c1-3-15-9-12-8-10(2)16-14(17-12)11-4-6-13(18)7-5-11/h4-8,15,18H,3,9H2,1-2H3
InChIKeyIXVUXIAKJNVGPE-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.27
Rot. Bonds4

About 4-[4-(ethylaminomethyl)-6-methylpyrimidin-2-yl]phenol

4-[4-(ethylaminomethyl)-6-methylpyrimidin-2-yl]phenol (PubChem CID 136889379) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 4-[4-(ethylaminomethyl)-6-methylpyrimidin-2-yl]phenol.

Molecular Properties

Compound Name4-[4-(ethylaminomethyl)-6-methylpyrimidin-2-yl]phenol
PubChem CID136889379
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name4-[4-(ethylaminomethyl)-6-methylpyrimidin-2-yl]phenol
SMILESCCNCc1cc(C)nc(-c2ccc(O)cc2)n1
InChIInChI=1S/C14H17N3O/c1-3-15-9-12-8-10(2)16-14(17-12)11-4-6-13(18)7-5-11/h4-8,15,18H,3,9H2,1-2H3
InChIKeyIXVUXIAKJNVGPE-UHFFFAOYSA-N
XLogP2.27
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-(3,4-dimethoxyphenyl)-6-methylpyrimidin-4-yl]methyl]ethanamine
CID 62744975
N-[[6-methyl-2-(3-methylphenyl)pyrimidin-4-yl]methyl]ethanamine
CID 62744634
4-[5-(ethylaminomethyl)-4,6-dimethylpyrimidin-2-yl]phenol
CID 136889467
N-[(6-methyl-2-pyrimidin-2-ylpyrimidin-4-yl)methyl]ethanamine
CID 55114618
N-[(6-methyl-2-phenylpyrimidin-4-yl)methyl]propan-1-amine
CID 62745336
N-[[6-methyl-2-(2-methylfuran-3-yl)pyrimidin-4-yl]methyl]ethanamine
CID 104790819
N-[[2-(furan-2-yl)-6-methylpyrimidin-4-yl]methyl]ethanamine
CID 62746211
3-[4-methyl-6-[(2-methylpropylamino)methyl]pyrimidin-2-yl]phenol
CID 107922025
N-[[2-(3,4-dichlorophenyl)-6-methylpyrimidin-4-yl]methyl]propan-1-amine
CID 81492623
N-[[2-(4-fluorophenyl)-6-methylpyrimidin-4-yl]methyl]-2-methoxyethanamine
CID 62746066
N-[[2-(4-chlorophenyl)-6-methylpyrimidin-4-yl]methyl]-2-methylpropan-2-amine
CID 62745885
N-[(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)methyl]propan-1-amine
CID 62744815

Frequently Asked Questions

What is the IUPAC name of 4-[4-(ethylaminomethyl)-6-methylpyrimidin-2-yl]phenol?
The IUPAC name of 4-[4-(ethylaminomethyl)-6-methylpyrimidin-2-yl]phenol (CID 136889379) is 4-[4-(ethylaminomethyl)-6-methylpyrimidin-2-yl]phenol.
What is the SMILES notation for 4-[4-(ethylaminomethyl)-6-methylpyrimidin-2-yl]phenol?
The canonical SMILES for 4-[4-(ethylaminomethyl)-6-methylpyrimidin-2-yl]phenol is CCNCc1cc(C)nc(-c2ccc(O)cc2)n1.
What is the InChIKey of 4-[4-(ethylaminomethyl)-6-methylpyrimidin-2-yl]phenol?
The InChIKey is IXVUXIAKJNVGPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-3-15-9-12-8-10(2)16-14(17-12)11-4-6-13(18)7-5-11/h4-8,15,18H,3,9H2,1-2H3.
What are the key properties of 4-[4-(ethylaminomethyl)-6-methylpyrimidin-2-yl]phenol?
4-[4-(ethylaminomethyl)-6-methylpyrimidin-2-yl]phenol has a molecular weight of 243.31 g/mol, XLogP of 2.27, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(ethylaminomethyl)-6-methylpyrimidin-2-yl]phenol is sourced from PubChem (CID 136889379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).