2-[4-(4-methoxyphenyl)pyrimidin-2-yl]-N-methylpropan-2-amine

C15H19N3O — CID 116900147

IUPAC2-[4-(4-methoxyphenyl)pyrimidin-2-yl]-N-methylpropan-2-amine
SMILESCNC(C)(C)c1nccc(-c2ccc(OC)cc2)n1
InChIInChI=1S/C15H19N3O/c1-15(2,16-3)14-17-10-9-13(18-14)11-5-7-12(19-4)8-6-11/h5-10,16H,1-4H3
InChIKeyXQHYAVWKPCIOBA-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.61
Rot. Bonds4

About 2-[4-(4-methoxyphenyl)pyrimidin-2-yl]-N-methylpropan-2-amine

2-[4-(4-methoxyphenyl)pyrimidin-2-yl]-N-methylpropan-2-amine (PubChem CID 116900147) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 2-[4-(4-methoxyphenyl)pyrimidin-2-yl]-N-methylpropan-2-amine.

Molecular Properties

Compound Name2-[4-(4-methoxyphenyl)pyrimidin-2-yl]-N-methylpropan-2-amine
PubChem CID116900147
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name2-[4-(4-methoxyphenyl)pyrimidin-2-yl]-N-methylpropan-2-amine
SMILESCNC(C)(C)c1nccc(-c2ccc(OC)cc2)n1
InChIInChI=1S/C15H19N3O/c1-15(2,16-3)14-17-10-9-13(18-14)11-5-7-12(19-4)8-6-11/h5-10,16H,1-4H3
InChIKeyXQHYAVWKPCIOBA-UHFFFAOYSA-N
XLogP2.61
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(4-fluorophenyl)pyrimidin-2-yl]-N-methylpropan-2-amine
CID 116900144
4-(4-methoxyphenyl)-2-(trifluoromethyl)pyrimidine
CID 116903673
[4-(4-methoxyphenyl)pyrimidin-2-yl]methanethiol
CID 116900321
(2S)-2-hydroxy-3-[[4-(4-methoxyphenyl)pyrimidin-2-yl]amino]-2-methylpropanoic acid
CID 129470512
4-(6-methoxynaphthalen-2-yl)-N-methylpyrimidin-2-amine
CID 116900581
N-[(3,4-dichlorophenyl)methyl]-4-(4-methoxyphenyl)pyrimidin-2-amine
CID 46172980
3-methyl-3-(4-pyridin-4-ylpyrimidin-2-yl)butan-1-amine
CID 116898394
2-[4-(4-bromophenyl)pyrimidin-2-yl]propan-2-amine
CID 116897638
4-(2-methoxypyrimidin-4-yl)-N-methylaniline
CID 145078469
4-[4-(difluoromethoxy)phenyl]-N-methylpyrimidin-2-amine
CID 63549274
3-[4-(4-methoxyphenyl)pyrimidin-2-yl]propanenitrile
CID 116901089
2-[3-(4-methoxyphenyl)phenyl]-4-phenylpyrimidine
CID 102598819

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-methoxyphenyl)pyrimidin-2-yl]-N-methylpropan-2-amine?
The IUPAC name of 2-[4-(4-methoxyphenyl)pyrimidin-2-yl]-N-methylpropan-2-amine (CID 116900147) is 2-[4-(4-methoxyphenyl)pyrimidin-2-yl]-N-methylpropan-2-amine.
What is the SMILES notation for 2-[4-(4-methoxyphenyl)pyrimidin-2-yl]-N-methylpropan-2-amine?
The canonical SMILES for 2-[4-(4-methoxyphenyl)pyrimidin-2-yl]-N-methylpropan-2-amine is CNC(C)(C)c1nccc(-c2ccc(OC)cc2)n1.
What is the InChIKey of 2-[4-(4-methoxyphenyl)pyrimidin-2-yl]-N-methylpropan-2-amine?
The InChIKey is XQHYAVWKPCIOBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-15(2,16-3)14-17-10-9-13(18-14)11-5-7-12(19-4)8-6-11/h5-10,16H,1-4H3.
What are the key properties of 2-[4-(4-methoxyphenyl)pyrimidin-2-yl]-N-methylpropan-2-amine?
2-[4-(4-methoxyphenyl)pyrimidin-2-yl]-N-methylpropan-2-amine has a molecular weight of 257.34 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-methoxyphenyl)pyrimidin-2-yl]-N-methylpropan-2-amine is sourced from PubChem (CID 116900147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).