6-[methyl-(2-methyl-1,3-benzoxazol-5-yl)amino]pyrimidine-4-carbonitrile

C14H11N5O — CID 115142851

IUPAC6-[methyl-(2-methyl-1,3-benzoxazol-5-yl)amino]pyrimidine-4-carbonitrile
SMILESCc1nc2cc(N(C)c3cc(C#N)ncn3)ccc2o1
InChIInChI=1S/C14H11N5O/c1-9-18-12-6-11(3-4-13(12)20-9)19(2)14-5-10(7-15)16-8-17-14/h3-6,8H,1-2H3
InChIKeyPYVBCDDOXBVDSQ-UHFFFAOYSA-N
MW265.28 g/mol
LogP2.57
Rot. Bonds2

About 6-[methyl-(2-methyl-1,3-benzoxazol-5-yl)amino]pyrimidine-4-carbonitrile

6-[methyl-(2-methyl-1,3-benzoxazol-5-yl)amino]pyrimidine-4-carbonitrile (PubChem CID 115142851) has the molecular formula C14H11N5O and a molecular weight of 265.28 g/mol. Its IUPAC name is 6-[methyl-(2-methyl-1,3-benzoxazol-5-yl)amino]pyrimidine-4-carbonitrile.

Molecular Properties

Compound Name6-[methyl-(2-methyl-1,3-benzoxazol-5-yl)amino]pyrimidine-4-carbonitrile
PubChem CID115142851
Molecular FormulaC14H11N5O
Molecular Weight265.28 g/mol
Exact Mass265.10
IUPAC Name6-[methyl-(2-methyl-1,3-benzoxazol-5-yl)amino]pyrimidine-4-carbonitrile
SMILESCc1nc2cc(N(C)c3cc(C#N)ncn3)ccc2o1
InChIInChI=1S/C14H11N5O/c1-9-18-12-6-11(3-4-13(12)20-9)19(2)14-5-10(7-15)16-8-17-14/h3-6,8H,1-2H3
InChIKeyPYVBCDDOXBVDSQ-UHFFFAOYSA-N
XLogP2.57
TPSA78.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.28
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6-[methyl-(2-methyl-1,3-benzoxazol-5-yl)amino]pyrimidine-4-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[methyl-(2-methyl-1,3-benzoxazol-5-yl)amino]pyrimidine-4-carbonitrile?
The IUPAC name of 6-[methyl-(2-methyl-1,3-benzoxazol-5-yl)amino]pyrimidine-4-carbonitrile (CID 115142851) is 6-[methyl-(2-methyl-1,3-benzoxazol-5-yl)amino]pyrimidine-4-carbonitrile.
What is the SMILES notation for 6-[methyl-(2-methyl-1,3-benzoxazol-5-yl)amino]pyrimidine-4-carbonitrile?
The canonical SMILES for 6-[methyl-(2-methyl-1,3-benzoxazol-5-yl)amino]pyrimidine-4-carbonitrile is Cc1nc2cc(N(C)c3cc(C#N)ncn3)ccc2o1.
What is the InChIKey of 6-[methyl-(2-methyl-1,3-benzoxazol-5-yl)amino]pyrimidine-4-carbonitrile?
The InChIKey is PYVBCDDOXBVDSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N5O/c1-9-18-12-6-11(3-4-13(12)20-9)19(2)14-5-10(7-15)16-8-17-14/h3-6,8H,1-2H3.
What are the key properties of 6-[methyl-(2-methyl-1,3-benzoxazol-5-yl)amino]pyrimidine-4-carbonitrile?
6-[methyl-(2-methyl-1,3-benzoxazol-5-yl)amino]pyrimidine-4-carbonitrile has a molecular weight of 265.28 g/mol, XLogP of 2.57, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[methyl-(2-methyl-1,3-benzoxazol-5-yl)amino]pyrimidine-4-carbonitrile is sourced from PubChem (CID 115142851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).