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

C14H14N4O — CID 116897504

IUPACN-methyl-1-[4-(2-methyl-1,3-benzoxazol-6-yl)pyrimidin-2-yl]methanamine
SMILESCNCc1nccc(-c2ccc3nc(C)oc3c2)n1
InChIInChI=1S/C14H14N4O/c1-9-17-12-4-3-10(7-13(12)19-9)11-5-6-16-14(18-11)8-15-2/h3-7,15H,8H2,1-2H3
InChIKeyREWNJNGLLHGBIN-UHFFFAOYSA-N
MW254.29 g/mol
LogP2.31
Rot. Bonds3

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

N-methyl-1-[4-(2-methyl-1,3-benzoxazol-6-yl)pyrimidin-2-yl]methanamine (PubChem CID 116897504) has the molecular formula C14H14N4O and a molecular weight of 254.29 g/mol. Its IUPAC name is N-methyl-1-[4-(2-methyl-1,3-benzoxazol-6-yl)pyrimidin-2-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[4-(2-methyl-1,3-benzoxazol-6-yl)pyrimidin-2-yl]methanamine
PubChem CID116897504
Molecular FormulaC14H14N4O
Molecular Weight254.29 g/mol
Exact Mass254.12
IUPAC NameN-methyl-1-[4-(2-methyl-1,3-benzoxazol-6-yl)pyrimidin-2-yl]methanamine
SMILESCNCc1nccc(-c2ccc3nc(C)oc3c2)n1
InChIInChI=1S/C14H14N4O/c1-9-17-12-4-3-10(7-13(12)19-9)11-5-6-16-14(18-11)8-15-2/h3-7,15H,8H2,1-2H3
InChIKeyREWNJNGLLHGBIN-UHFFFAOYSA-N
XLogP2.31
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-2-[4-(2-methyl-1,3-benzoxazol-6-yl)pyrimidin-2-yl]ethanamine
CID 116897785
6-(2-chloropyrimidin-4-yl)-2-methyl-1,3-benzoxazole
CID 116904381
N-methyl-1-[4-(2-methyl-3H-benzimidazol-5-yl)pyrimidin-2-yl]methanamine
CID 116897507
N-methyl-4-(2-methyl-1,3-benzoxazol-5-yl)pyrimidin-2-amine
CID 116900562
3-[4-(2-methyl-1,3-benzoxazol-5-yl)pyrimidin-2-yl]propan-1-amine
CID 116898105
1-[4-(4-ethoxyphenyl)pyrimidin-2-yl]-N-methylmethanamine
CID 116897472
N-methyl-1-[4-[4-(2-methylpropyl)phenyl]pyrimidin-2-yl]methanamine
CID 116897459
[4-(2-methyl-1,3-benzoxazol-6-yl)-1,3-thiazol-2-yl]methylhydrazine
CID 116970222
N-[[4-(1,3-benzoxazol-6-yl)pyrimidin-2-yl]methyl]cyclopropanamine
CID 116898654
N-methyl-N'-(2-methyl-1,3-benzoxazol-6-yl)ethane-1,2-diamine
CID 115195764
N,N'-dimethyl-1-(2-methyl-1,3-benzoxazol-6-yl)propane-1,3-diamine
CID 116948599
N-methyl-N'-[2-(2-methyl-1,3-benzoxazol-6-yl)ethyl]methanediamine
CID 115227219

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[4-(2-methyl-1,3-benzoxazol-6-yl)pyrimidin-2-yl]methanamine?
The IUPAC name of N-methyl-1-[4-(2-methyl-1,3-benzoxazol-6-yl)pyrimidin-2-yl]methanamine (CID 116897504) is N-methyl-1-[4-(2-methyl-1,3-benzoxazol-6-yl)pyrimidin-2-yl]methanamine.
What is the SMILES notation for N-methyl-1-[4-(2-methyl-1,3-benzoxazol-6-yl)pyrimidin-2-yl]methanamine?
The canonical SMILES for N-methyl-1-[4-(2-methyl-1,3-benzoxazol-6-yl)pyrimidin-2-yl]methanamine is CNCc1nccc(-c2ccc3nc(C)oc3c2)n1.
What is the InChIKey of N-methyl-1-[4-(2-methyl-1,3-benzoxazol-6-yl)pyrimidin-2-yl]methanamine?
The InChIKey is REWNJNGLLHGBIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O/c1-9-17-12-4-3-10(7-13(12)19-9)11-5-6-16-14(18-11)8-15-2/h3-7,15H,8H2,1-2H3.
What are the key properties of N-methyl-1-[4-(2-methyl-1,3-benzoxazol-6-yl)pyrimidin-2-yl]methanamine?
N-methyl-1-[4-(2-methyl-1,3-benzoxazol-6-yl)pyrimidin-2-yl]methanamine has a molecular weight of 254.29 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[4-(2-methyl-1,3-benzoxazol-6-yl)pyrimidin-2-yl]methanamine is sourced from PubChem (CID 116897504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).