1-[2-(3-methylphenyl)pyrimidin-5-yl]butan-2-amine

C15H19N3 — CID 62757551

IUPAC1-[2-(3-methylphenyl)pyrimidin-5-yl]butan-2-amine
SMILESCCC(N)Cc1cnc(-c2cccc(C)c2)nc1
InChIInChI=1S/C15H19N3/c1-3-14(16)8-12-9-17-15(18-10-12)13-6-4-5-11(2)7-13/h4-7,9-10,14H,3,8,16H2,1-2H3
InChIKeyNDVWHXMJMIYNGF-UHFFFAOYSA-N
MW241.34 g/mol
LogP2.73
Rot. Bonds4

About 1-[2-(3-methylphenyl)pyrimidin-5-yl]butan-2-amine

1-[2-(3-methylphenyl)pyrimidin-5-yl]butan-2-amine (PubChem CID 62757551) has the molecular formula C15H19N3 and a molecular weight of 241.34 g/mol. Its IUPAC name is 1-[2-(3-methylphenyl)pyrimidin-5-yl]butan-2-amine.

Molecular Properties

Compound Name1-[2-(3-methylphenyl)pyrimidin-5-yl]butan-2-amine
PubChem CID62757551
Molecular FormulaC15H19N3
Molecular Weight241.34 g/mol
Exact Mass241.16
IUPAC Name1-[2-(3-methylphenyl)pyrimidin-5-yl]butan-2-amine
SMILESCCC(N)Cc1cnc(-c2cccc(C)c2)nc1
InChIInChI=1S/C15H19N3/c1-3-14(16)8-12-9-17-15(18-10-12)13-6-4-5-11(2)7-13/h4-7,9-10,14H,3,8,16H2,1-2H3
InChIKeyNDVWHXMJMIYNGF-UHFFFAOYSA-N
XLogP2.73
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.34
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[5-(2-aminobutyl)pyrimidin-2-yl]benzene-1,2-diol
CID 136889447
N-[[2-(3-methylphenyl)pyrimidin-5-yl]methyl]propan-1-amine
CID 62756408
2-[6-(3-methylphenyl)-3-pyridinyl]ethanol
CID 117001661
1-[2-(1-benzofuran-2-yl)pyrimidin-5-yl]butan-2-amine
CID 63089399
5-methoxy-2-(3-methylphenyl)pyrimidine
CID 91581567
1-[2-(3-nitrophenyl)pyrimidin-5-yl]propan-2-amine
CID 62757546
1-[3,5-difluoro-4-(3-methylphenyl)sulfanylphenyl]butan-2-amine
CID 63818193
1-(4-methyl-2-phenylpyrimidin-5-yl)butan-2-amine
CID 170888827
1-[2-(4-fluoro-3-methylphenyl)pyrimidin-5-yl]propan-2-amine
CID 62757182
1-[2-(2-methyl-5-nitrophenyl)pyrimidin-5-yl]butan-2-amine
CID 62758102
1-[2-(2-methylpropyl)pyrimidin-5-yl]butan-2-amine
CID 62757730
(2S)-1-(3,5-dimethylphenyl)butan-2-amine
CID 104932267

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-methylphenyl)pyrimidin-5-yl]butan-2-amine?
The IUPAC name of 1-[2-(3-methylphenyl)pyrimidin-5-yl]butan-2-amine (CID 62757551) is 1-[2-(3-methylphenyl)pyrimidin-5-yl]butan-2-amine.
What is the SMILES notation for 1-[2-(3-methylphenyl)pyrimidin-5-yl]butan-2-amine?
The canonical SMILES for 1-[2-(3-methylphenyl)pyrimidin-5-yl]butan-2-amine is CCC(N)Cc1cnc(-c2cccc(C)c2)nc1.
What is the InChIKey of 1-[2-(3-methylphenyl)pyrimidin-5-yl]butan-2-amine?
The InChIKey is NDVWHXMJMIYNGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3/c1-3-14(16)8-12-9-17-15(18-10-12)13-6-4-5-11(2)7-13/h4-7,9-10,14H,3,8,16H2,1-2H3.
What are the key properties of 1-[2-(3-methylphenyl)pyrimidin-5-yl]butan-2-amine?
1-[2-(3-methylphenyl)pyrimidin-5-yl]butan-2-amine has a molecular weight of 241.34 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-methylphenyl)pyrimidin-5-yl]butan-2-amine is sourced from PubChem (CID 62757551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).