N-methyl-2-[4-(2-methyl-1,3-benzoxazol-6-yl)pyrimidin-2-yl]ethanamine

C15H16N4O — CID 116897785

IUPACN-methyl-2-[4-(2-methyl-1,3-benzoxazol-6-yl)pyrimidin-2-yl]ethanamine
SMILESCNCCc1nccc(-c2ccc3nc(C)oc3c2)n1
InChIInChI=1S/C15H16N4O/c1-10-18-13-4-3-11(9-14(13)20-10)12-5-8-17-15(19-12)6-7-16-2/h3-5,8-9,16H,6-7H2,1-2H3
InChIKeyGAKMFJCHDIYPDX-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.36
Rot. Bonds4

About N-methyl-2-[4-(2-methyl-1,3-benzoxazol-6-yl)pyrimidin-2-yl]ethanamine

N-methyl-2-[4-(2-methyl-1,3-benzoxazol-6-yl)pyrimidin-2-yl]ethanamine (PubChem CID 116897785) has the molecular formula C15H16N4O and a molecular weight of 268.32 g/mol. Its IUPAC name is N-methyl-2-[4-(2-methyl-1,3-benzoxazol-6-yl)pyrimidin-2-yl]ethanamine.

Molecular Properties

Compound NameN-methyl-2-[4-(2-methyl-1,3-benzoxazol-6-yl)pyrimidin-2-yl]ethanamine
PubChem CID116897785
Molecular FormulaC15H16N4O
Molecular Weight268.32 g/mol
Exact Mass268.13
IUPAC NameN-methyl-2-[4-(2-methyl-1,3-benzoxazol-6-yl)pyrimidin-2-yl]ethanamine
SMILESCNCCc1nccc(-c2ccc3nc(C)oc3c2)n1
InChIInChI=1S/C15H16N4O/c1-10-18-13-4-3-11(9-14(13)20-10)12-5-8-17-15(19-12)6-7-16-2/h3-5,8-9,16H,6-7H2,1-2H3
InChIKeyGAKMFJCHDIYPDX-UHFFFAOYSA-N
XLogP2.36
TPSA63.84 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 ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[4-(2-methyl-1,3-benzoxazol-6-yl)pyrimidin-2-yl]ethanamine?
The IUPAC name of N-methyl-2-[4-(2-methyl-1,3-benzoxazol-6-yl)pyrimidin-2-yl]ethanamine (CID 116897785) is N-methyl-2-[4-(2-methyl-1,3-benzoxazol-6-yl)pyrimidin-2-yl]ethanamine.
What is the SMILES notation for N-methyl-2-[4-(2-methyl-1,3-benzoxazol-6-yl)pyrimidin-2-yl]ethanamine?
The canonical SMILES for N-methyl-2-[4-(2-methyl-1,3-benzoxazol-6-yl)pyrimidin-2-yl]ethanamine is CNCCc1nccc(-c2ccc3nc(C)oc3c2)n1.
What is the InChIKey of N-methyl-2-[4-(2-methyl-1,3-benzoxazol-6-yl)pyrimidin-2-yl]ethanamine?
The InChIKey is GAKMFJCHDIYPDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O/c1-10-18-13-4-3-11(9-14(13)20-10)12-5-8-17-15(19-12)6-7-16-2/h3-5,8-9,16H,6-7H2,1-2H3.
What are the key properties of N-methyl-2-[4-(2-methyl-1,3-benzoxazol-6-yl)pyrimidin-2-yl]ethanamine?
N-methyl-2-[4-(2-methyl-1,3-benzoxazol-6-yl)pyrimidin-2-yl]ethanamine has a molecular weight of 268.32 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[4-(2-methyl-1,3-benzoxazol-6-yl)pyrimidin-2-yl]ethanamine is sourced from PubChem (CID 116897785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).