3-[4-(2-methyl-1,3-benzoxazol-5-yl)pyrimidin-2-yl]propan-1-amine

C15H16N4O — CID 116898105

IUPAC3-[4-(2-methyl-1,3-benzoxazol-5-yl)pyrimidin-2-yl]propan-1-amine
SMILESCc1nc2cc(-c3ccnc(CCCN)n3)ccc2o1
InChIInChI=1S/C15H16N4O/c1-10-18-13-9-11(4-5-14(13)20-10)12-6-8-17-15(19-12)3-2-7-16/h4-6,8-9H,2-3,7,16H2,1H3
InChIKeyVAOIVXYHJXHHQX-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.48
Rot. Bonds4

About 3-[4-(2-methyl-1,3-benzoxazol-5-yl)pyrimidin-2-yl]propan-1-amine

3-[4-(2-methyl-1,3-benzoxazol-5-yl)pyrimidin-2-yl]propan-1-amine (PubChem CID 116898105) has the molecular formula C15H16N4O and a molecular weight of 268.32 g/mol. Its IUPAC name is 3-[4-(2-methyl-1,3-benzoxazol-5-yl)pyrimidin-2-yl]propan-1-amine.

Molecular Properties

Compound Name3-[4-(2-methyl-1,3-benzoxazol-5-yl)pyrimidin-2-yl]propan-1-amine
PubChem CID116898105
Molecular FormulaC15H16N4O
Molecular Weight268.32 g/mol
Exact Mass268.13
IUPAC Name3-[4-(2-methyl-1,3-benzoxazol-5-yl)pyrimidin-2-yl]propan-1-amine
SMILESCc1nc2cc(-c3ccnc(CCCN)n3)ccc2o1
InChIInChI=1S/C15H16N4O/c1-10-18-13-9-11(4-5-14(13)20-10)12-6-8-17-15(19-12)3-2-7-16/h4-6,8-9H,2-3,7,16H2,1H3
InChIKeyVAOIVXYHJXHHQX-UHFFFAOYSA-N
XLogP2.48
TPSA77.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-4-(2-methyl-1,3-benzoxazol-5-yl)pyrimidin-2-amine
CID 116900562
N-methyl-2-[4-(2-methyl-1,3-benzoxazol-6-yl)pyrimidin-2-yl]ethanamine
CID 116897785
3-[5-(2-methyl-1,3-benzoxazol-5-yl)-1H-imidazol-2-yl]propan-1-amine
CID 116876940
3-[4-(4-methylsulfanylphenyl)pyrimidin-2-yl]propan-1-amine
CID 116898098
N-methyl-1-[4-(2-methyl-1,3-benzoxazol-6-yl)pyrimidin-2-yl]methanamine
CID 116897504
5-[2-(azetidin-3-yl)pyrimidin-4-yl]-2-methyl-1,3-benzoxazole
CID 116898738
6-(2-chloropyrimidin-4-yl)-2-methyl-1,3-benzoxazole
CID 116904381
[4-(2-butylpyrimidin-4-yl)-2-methylphenyl]methanamine
CID 123828026
3-[4-(1,3-benzoxazol-6-yl)-6-methylpyrimidin-2-yl]propan-1-amine
CID 116892896
3-(2-methyl-1,3-benzoxazol-5-yl)-1,2-oxazol-5-amine
CID 82492852
N'-(2-methyl-1,3-benzoxazol-5-yl)butane-1,4-diamine
CID 115201041
2-[4-(4-ethoxy-3-methylphenyl)pyrimidin-2-yl]ethanamine
CID 96664975

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-methyl-1,3-benzoxazol-5-yl)pyrimidin-2-yl]propan-1-amine?
The IUPAC name of 3-[4-(2-methyl-1,3-benzoxazol-5-yl)pyrimidin-2-yl]propan-1-amine (CID 116898105) is 3-[4-(2-methyl-1,3-benzoxazol-5-yl)pyrimidin-2-yl]propan-1-amine.
What is the SMILES notation for 3-[4-(2-methyl-1,3-benzoxazol-5-yl)pyrimidin-2-yl]propan-1-amine?
The canonical SMILES for 3-[4-(2-methyl-1,3-benzoxazol-5-yl)pyrimidin-2-yl]propan-1-amine is Cc1nc2cc(-c3ccnc(CCCN)n3)ccc2o1.
What is the InChIKey of 3-[4-(2-methyl-1,3-benzoxazol-5-yl)pyrimidin-2-yl]propan-1-amine?
The InChIKey is VAOIVXYHJXHHQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O/c1-10-18-13-9-11(4-5-14(13)20-10)12-6-8-17-15(19-12)3-2-7-16/h4-6,8-9H,2-3,7,16H2,1H3.
What are the key properties of 3-[4-(2-methyl-1,3-benzoxazol-5-yl)pyrimidin-2-yl]propan-1-amine?
3-[4-(2-methyl-1,3-benzoxazol-5-yl)pyrimidin-2-yl]propan-1-amine has a molecular weight of 268.32 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-methyl-1,3-benzoxazol-5-yl)pyrimidin-2-yl]propan-1-amine is sourced from PubChem (CID 116898105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).