3-[4-methyl-6-[(2-methylpropylamino)methyl]pyrimidin-2-yl]phenol

C16H21N3O — CID 107922025

IUPAC3-[4-methyl-6-[(2-methylpropylamino)methyl]pyrimidin-2-yl]phenol
SMILESCc1cc(CNCC(C)C)nc(-c2cccc(O)c2)n1
InChIInChI=1S/C16H21N3O/c1-11(2)9-17-10-14-7-12(3)18-16(19-14)13-5-4-6-15(20)8-13/h4-8,11,17,20H,9-10H2,1-3H3
InChIKeyQEFVGTJJKNIZKT-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.90
Rot. Bonds5

About 3-[4-methyl-6-[(2-methylpropylamino)methyl]pyrimidin-2-yl]phenol

3-[4-methyl-6-[(2-methylpropylamino)methyl]pyrimidin-2-yl]phenol (PubChem CID 107922025) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 3-[4-methyl-6-[(2-methylpropylamino)methyl]pyrimidin-2-yl]phenol.

Molecular Properties

Compound Name3-[4-methyl-6-[(2-methylpropylamino)methyl]pyrimidin-2-yl]phenol
PubChem CID107922025
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name3-[4-methyl-6-[(2-methylpropylamino)methyl]pyrimidin-2-yl]phenol
SMILESCc1cc(CNCC(C)C)nc(-c2cccc(O)c2)n1
InChIInChI=1S/C16H21N3O/c1-11(2)9-17-10-14-7-12(3)18-16(19-14)13-5-4-6-15(20)8-13/h4-8,11,17,20H,9-10H2,1-3H3
InChIKeyQEFVGTJJKNIZKT-UHFFFAOYSA-N
XLogP2.90
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-(3-fluoro-4-methylphenyl)-6-methylpyrimidin-4-yl]methyl]-2-methylpropan-1-amine
CID 62746589
N-[[2-(4-fluoro-3-methylphenyl)-6-methylpyrimidin-4-yl]methyl]-2-methylpropan-1-amine
CID 62746412
N-[[6-methyl-2-(3-methylphenyl)pyrimidin-4-yl]methyl]ethanamine
CID 62744634
4-[4-(ethylaminomethyl)-6-methylpyrimidin-2-yl]phenol
CID 136889379
2-methyl-N-[(6-methyl-2-pyrazin-2-ylpyrimidin-4-yl)methyl]propan-1-amine
CID 55114573
N-[(6-methyl-2-phenylpyrimidin-4-yl)methyl]propan-1-amine
CID 62745336
4-[4,6-dimethyl-5-[(2-methylpropylamino)methyl]pyrimidin-2-yl]phenol
CID 136889475
N-[[2-(3,4-dimethoxyphenyl)-6-methylpyrimidin-4-yl]methyl]ethanamine
CID 62744975
3-[4-ethyl-6-(propylamino)pyrimidin-2-yl]phenol
CID 62202780
4-(methoxymethyl)-6-methyl-2-(3-methylphenyl)pyrimidine
CID 142147287
N-[[2-[(4-chlorophenyl)methyl]-6-methylpyrimidin-4-yl]methyl]-2-methylpropan-1-amine
CID 62746762
N-[(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)methyl]propan-1-amine
CID 62744815

Frequently Asked Questions

What is the IUPAC name of 3-[4-methyl-6-[(2-methylpropylamino)methyl]pyrimidin-2-yl]phenol?
The IUPAC name of 3-[4-methyl-6-[(2-methylpropylamino)methyl]pyrimidin-2-yl]phenol (CID 107922025) is 3-[4-methyl-6-[(2-methylpropylamino)methyl]pyrimidin-2-yl]phenol.
What is the SMILES notation for 3-[4-methyl-6-[(2-methylpropylamino)methyl]pyrimidin-2-yl]phenol?
The canonical SMILES for 3-[4-methyl-6-[(2-methylpropylamino)methyl]pyrimidin-2-yl]phenol is Cc1cc(CNCC(C)C)nc(-c2cccc(O)c2)n1.
What is the InChIKey of 3-[4-methyl-6-[(2-methylpropylamino)methyl]pyrimidin-2-yl]phenol?
The InChIKey is QEFVGTJJKNIZKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-11(2)9-17-10-14-7-12(3)18-16(19-14)13-5-4-6-15(20)8-13/h4-8,11,17,20H,9-10H2,1-3H3.
What are the key properties of 3-[4-methyl-6-[(2-methylpropylamino)methyl]pyrimidin-2-yl]phenol?
3-[4-methyl-6-[(2-methylpropylamino)methyl]pyrimidin-2-yl]phenol has a molecular weight of 271.36 g/mol, XLogP of 2.90, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-methyl-6-[(2-methylpropylamino)methyl]pyrimidin-2-yl]phenol is sourced from PubChem (CID 107922025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).