4-(4-cyano-6-methylpyrimidin-2-yl)-N-cyclopropylmorpholine-3-carboxamide

C14H17N5O2 — CID 107545054

IUPAC4-(4-cyano-6-methylpyrimidin-2-yl)-N-cyclopropylmorpholine-3-carboxamide
SMILESCc1cc(C#N)nc(N2CCOCC2C(=O)NC2CC2)n1
InChIInChI=1S/C14H17N5O2/c1-9-6-11(7-15)18-14(16-9)19-4-5-21-8-12(19)13(20)17-10-2-3-10/h6,10,12H,2-5,8H2,1H3,(H,17,20)
InChIKeyIAZIYQPBBCXYLD-UHFFFAOYSA-N
MW287.32 g/mol
LogP0.14
Rot. Bonds3

About 4-(4-cyano-6-methylpyrimidin-2-yl)-N-cyclopropylmorpholine-3-carboxamide

4-(4-cyano-6-methylpyrimidin-2-yl)-N-cyclopropylmorpholine-3-carboxamide (PubChem CID 107545054) has the molecular formula C14H17N5O2 and a molecular weight of 287.32 g/mol. Its IUPAC name is 4-(4-cyano-6-methylpyrimidin-2-yl)-N-cyclopropylmorpholine-3-carboxamide.

Molecular Properties

Compound Name4-(4-cyano-6-methylpyrimidin-2-yl)-N-cyclopropylmorpholine-3-carboxamide
PubChem CID107545054
Molecular FormulaC14H17N5O2
Molecular Weight287.32 g/mol
Exact Mass287.14
IUPAC Name4-(4-cyano-6-methylpyrimidin-2-yl)-N-cyclopropylmorpholine-3-carboxamide
SMILESCc1cc(C#N)nc(N2CCOCC2C(=O)NC2CC2)n1
InChIInChI=1S/C14H17N5O2/c1-9-6-11(7-15)18-14(16-9)19-4-5-21-8-12(19)13(20)17-10-2-3-10/h6,10,12H,2-5,8H2,1H3,(H,17,20)
InChIKeyIAZIYQPBBCXYLD-UHFFFAOYSA-N
XLogP0.14
TPSA91.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-(4-cyano-6-methylpyrimidin-2-yl)-N-cyclopropylmorpholine-3-carboxamide 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 4-(4-cyano-6-methylpyrimidin-2-yl)-N-cyclopropylmorpholine-3-carboxamide?
The IUPAC name of 4-(4-cyano-6-methylpyrimidin-2-yl)-N-cyclopropylmorpholine-3-carboxamide (CID 107545054) is 4-(4-cyano-6-methylpyrimidin-2-yl)-N-cyclopropylmorpholine-3-carboxamide.
What is the SMILES notation for 4-(4-cyano-6-methylpyrimidin-2-yl)-N-cyclopropylmorpholine-3-carboxamide?
The canonical SMILES for 4-(4-cyano-6-methylpyrimidin-2-yl)-N-cyclopropylmorpholine-3-carboxamide is Cc1cc(C#N)nc(N2CCOCC2C(=O)NC2CC2)n1.
What is the InChIKey of 4-(4-cyano-6-methylpyrimidin-2-yl)-N-cyclopropylmorpholine-3-carboxamide?
The InChIKey is IAZIYQPBBCXYLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O2/c1-9-6-11(7-15)18-14(16-9)19-4-5-21-8-12(19)13(20)17-10-2-3-10/h6,10,12H,2-5,8H2,1H3,(H,17,20).
What are the key properties of 4-(4-cyano-6-methylpyrimidin-2-yl)-N-cyclopropylmorpholine-3-carboxamide?
4-(4-cyano-6-methylpyrimidin-2-yl)-N-cyclopropylmorpholine-3-carboxamide has a molecular weight of 287.32 g/mol, XLogP of 0.14, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-cyano-6-methylpyrimidin-2-yl)-N-cyclopropylmorpholine-3-carboxamide is sourced from PubChem (CID 107545054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).