3-[4-(1,3-benzoxazol-6-yl)-6-methylpyrimidin-2-yl]propan-1-amine

C15H16N4O — CID 116892896

IUPAC3-[4-(1,3-benzoxazol-6-yl)-6-methylpyrimidin-2-yl]propan-1-amine
SMILESCc1cc(-c2ccc3ncoc3c2)nc(CCCN)n1
InChIInChI=1S/C15H16N4O/c1-10-7-13(19-15(18-10)3-2-6-16)11-4-5-12-14(8-11)20-9-17-12/h4-5,7-9H,2-3,6,16H2,1H3
InChIKeyDQPXSAYGIGKVFO-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.48
Rot. Bonds4

About 3-[4-(1,3-benzoxazol-6-yl)-6-methylpyrimidin-2-yl]propan-1-amine

3-[4-(1,3-benzoxazol-6-yl)-6-methylpyrimidin-2-yl]propan-1-amine (PubChem CID 116892896) has the molecular formula C15H16N4O and a molecular weight of 268.32 g/mol. Its IUPAC name is 3-[4-(1,3-benzoxazol-6-yl)-6-methylpyrimidin-2-yl]propan-1-amine.

Molecular Properties

Compound Name3-[4-(1,3-benzoxazol-6-yl)-6-methylpyrimidin-2-yl]propan-1-amine
PubChem CID116892896
Molecular FormulaC15H16N4O
Molecular Weight268.32 g/mol
Exact Mass268.13
IUPAC Name3-[4-(1,3-benzoxazol-6-yl)-6-methylpyrimidin-2-yl]propan-1-amine
SMILESCc1cc(-c2ccc3ncoc3c2)nc(CCCN)n1
InChIInChI=1S/C15H16N4O/c1-10-7-13(19-15(18-10)3-2-6-16)11-4-5-12-14(8-11)20-9-17-12/h4-5,7-9H,2-3,6,16H2,1H3
InChIKeyDQPXSAYGIGKVFO-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

[4-(1,3-benzoxazol-6-yl)-6-methylpyrimidin-2-yl]methanamine
CID 116892346
3-[4-(1,3-benzoxazol-6-yl)-6-methylpyrimidin-2-yl]propanenitrile
CID 116895128
3-[4-(2,3-dihydro-1H-inden-5-yl)-6-methylpyrimidin-2-yl]propan-1-amine
CID 116892881
3-[4-(3-bromophenyl)-6-methylpyrimidin-2-yl]propan-1-amine
CID 116892905
2-[4-(3H-benzimidazol-5-yl)-6-methylpyrimidin-2-yl]ethanamine
CID 116892604
2-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methylpyrimidin-2-yl]ethanamine
CID 95474302
3-[4-(2-methyl-1,3-benzoxazol-5-yl)pyrimidin-2-yl]propan-1-amine
CID 116898105
4-(1,3-benzoxazol-6-yl)pyrimidin-2-amine
CID 116900490
2-[4-methyl-6-(4-propylphenyl)pyrimidin-2-yl]ethanamine
CID 95464263
2-[4-methyl-6-(4-methylsulfanylphenyl)pyrimidin-2-yl]ethanamine
CID 82484222
3-[4-(5-bromo-2-fluorophenyl)-6-methylpyrimidin-2-yl]propan-1-amine
CID 116892899
N-[[4-(1,3-benzoxazol-6-yl)pyrimidin-2-yl]methyl]cyclopropanamine
CID 116898654

Frequently Asked Questions

What is the IUPAC name of 3-[4-(1,3-benzoxazol-6-yl)-6-methylpyrimidin-2-yl]propan-1-amine?
The IUPAC name of 3-[4-(1,3-benzoxazol-6-yl)-6-methylpyrimidin-2-yl]propan-1-amine (CID 116892896) is 3-[4-(1,3-benzoxazol-6-yl)-6-methylpyrimidin-2-yl]propan-1-amine.
What is the SMILES notation for 3-[4-(1,3-benzoxazol-6-yl)-6-methylpyrimidin-2-yl]propan-1-amine?
The canonical SMILES for 3-[4-(1,3-benzoxazol-6-yl)-6-methylpyrimidin-2-yl]propan-1-amine is Cc1cc(-c2ccc3ncoc3c2)nc(CCCN)n1.
What is the InChIKey of 3-[4-(1,3-benzoxazol-6-yl)-6-methylpyrimidin-2-yl]propan-1-amine?
The InChIKey is DQPXSAYGIGKVFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O/c1-10-7-13(19-15(18-10)3-2-6-16)11-4-5-12-14(8-11)20-9-17-12/h4-5,7-9H,2-3,6,16H2,1H3.
What are the key properties of 3-[4-(1,3-benzoxazol-6-yl)-6-methylpyrimidin-2-yl]propan-1-amine?
3-[4-(1,3-benzoxazol-6-yl)-6-methylpyrimidin-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-(1,3-benzoxazol-6-yl)-6-methylpyrimidin-2-yl]propan-1-amine is sourced from PubChem (CID 116892896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).