4-[5-(ethylaminomethyl)-4,6-dimethylpyrimidin-2-yl]phenol

C15H19N3O — CID 136889467

IUPAC4-[5-(ethylaminomethyl)-4,6-dimethylpyrimidin-2-yl]phenol
SMILESCCNCc1c(C)nc(-c2ccc(O)cc2)nc1C
InChIInChI=1S/C15H19N3O/c1-4-16-9-14-10(2)17-15(18-11(14)3)12-5-7-13(19)8-6-12/h5-8,16,19H,4,9H2,1-3H3
InChIKeyQKAHHUJOWHINGB-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.58
Rot. Bonds4

About 4-[5-(ethylaminomethyl)-4,6-dimethylpyrimidin-2-yl]phenol

4-[5-(ethylaminomethyl)-4,6-dimethylpyrimidin-2-yl]phenol (PubChem CID 136889467) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 4-[5-(ethylaminomethyl)-4,6-dimethylpyrimidin-2-yl]phenol.

Molecular Properties

Compound Name4-[5-(ethylaminomethyl)-4,6-dimethylpyrimidin-2-yl]phenol
PubChem CID136889467
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name4-[5-(ethylaminomethyl)-4,6-dimethylpyrimidin-2-yl]phenol
SMILESCCNCc1c(C)nc(-c2ccc(O)cc2)nc1C
InChIInChI=1S/C15H19N3O/c1-4-16-9-14-10(2)17-15(18-11(14)3)12-5-7-13(19)8-6-12/h5-8,16,19H,4,9H2,1-3H3
InChIKeyQKAHHUJOWHINGB-UHFFFAOYSA-N
XLogP2.58
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(4-Cyclopropyl-6-methyl-2-pyrimidinyl)amino]phenol
CID 85971930
2-[4-(4-Fluoro-phenylamino)-6-methyl-pyrimidin-2-yl]-phenol
CID 719248
4-[6-(4-Hydroxyphenyl)-2-phenylpyrimidin-4-yl]phenol
CID 789621
6-(4-Methoxyphenyl)-N~4~-Octylpyrimidine-2,4-Diamine
CID 75815438
2-[4-(2-Fluoro-phenylamino)-6-methyl-pyrimidin-2-yl]-phenol
CID 719253
4-Methyl-2-[[(6-methylpyridin-2-yl)amino]methyl]phenol
CID 890931
4-[4-(4-Fluorophenyl)-2-pyrimidinyl]benzenol
CID 1479911
1-(4-Hydroxyphenyl)ethanone (4-methyl-6-phenyl-2-pyrimidinyl)hydrazone
CID 135458773
4-(5-Allyl-6-methyl-2-phenyl-pyrimidin-4-ylamino)-phenol
CID 766801
2-cyclopentyl-4-(4-methoxyphenyl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepine
CID 16062783
2-[2-Methoxy-6-[[2-(4-methoxyphenyl)ethyl]amino]-4-pyrimidinyl]phenol
CID 135509970
2-(4-Methyl-6-(pyrrolidin-1-yl)pyrimidin-2-yl)phenol
CID 659356

Frequently Asked Questions

What is the IUPAC name of 4-[5-(ethylaminomethyl)-4,6-dimethylpyrimidin-2-yl]phenol?
The IUPAC name of 4-[5-(ethylaminomethyl)-4,6-dimethylpyrimidin-2-yl]phenol (CID 136889467) is 4-[5-(ethylaminomethyl)-4,6-dimethylpyrimidin-2-yl]phenol.
What is the SMILES notation for 4-[5-(ethylaminomethyl)-4,6-dimethylpyrimidin-2-yl]phenol?
The canonical SMILES for 4-[5-(ethylaminomethyl)-4,6-dimethylpyrimidin-2-yl]phenol is CCNCc1c(C)nc(-c2ccc(O)cc2)nc1C.
What is the InChIKey of 4-[5-(ethylaminomethyl)-4,6-dimethylpyrimidin-2-yl]phenol?
The InChIKey is QKAHHUJOWHINGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-4-16-9-14-10(2)17-15(18-11(14)3)12-5-7-13(19)8-6-12/h5-8,16,19H,4,9H2,1-3H3.
What are the key properties of 4-[5-(ethylaminomethyl)-4,6-dimethylpyrimidin-2-yl]phenol?
4-[5-(ethylaminomethyl)-4,6-dimethylpyrimidin-2-yl]phenol has a molecular weight of 257.34 g/mol, XLogP of 2.58, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(ethylaminomethyl)-4,6-dimethylpyrimidin-2-yl]phenol is sourced from PubChem (CID 136889467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).