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

Name: 4-(4-cyano-6-methylpyrimidin-2-yl)-N-methylmorpholine-3-carboxamide — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₂H₁₅N₅O₂ — CID 107545051

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC4-(4-cyano-6-methylpyrimidin-2-yl)-N-methylmorpholine-3-carboxamide

SMILESCNC(=O)C1COCCN1c1nc(C)cc(C#N)n1

InChIInChI=1S/C12H15N5O2/c1-8-5-9(6-13)16-12(15-8)17-3-4-19-7-10(17)11(18)14-2/h5,10H,3-4,7H2,1-2H3,(H,14,18)

InChIKeyHMJACYKXLSWXSK-UHFFFAOYSA-N

MW261.28 g/mol

LogP-0.39

Rot. Bonds2

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

4-(4-cyano-6-methylpyrimidin-2-yl)-N-methylmorpholine-3-carboxamide (PubChem CID 107545051) has the molecular formula C₁₂H₁₅N₅O₂ and a molecular weight of 261.28 g/mol. Its IUPAC name is 4-(4-cyano-6-methylpyrimidin-2-yl)-N-methylmorpholine-3-carboxamide.

Molecular Properties

Compound Name	4-(4-cyano-6-methylpyrimidin-2-yl)-N-methylmorpholine-3-carboxamide
PubChem CID	107545051
Molecular Formula	C₁₂H₁₅N₅O₂
Molecular Weight	261.28 g/mol
Exact Mass	261.12
IUPAC Name	4-(4-cyano-6-methylpyrimidin-2-yl)-N-methylmorpholine-3-carboxamide
SMILES	CNC(=O)C1COCCN1c1nc(C)cc(C#N)n1
InChI	InChI=1S/C12H15N5O2/c1-8-5-9(6-13)16-12(15-8)17-3-4-19-7-10(17)11(18)14-2/h5,10H,3-4,7H2,1-2H3,(H,14,18)
InChIKey	HMJACYKXLSWXSK-UHFFFAOYSA-N
XLogP	-0.39
TPSA	91.14 Å²
H-Bond Donors	1
H-Bond Acceptors	6
Rotatable Bonds	2
Heavy Atoms	19
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	261.28
LogP ≤ 5	-0.39
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-(4-cyano-6-methylpyrimidin-2-yl)-N-methylmorpholine-3-carboxamide?

The IUPAC name of 4-(4-cyano-6-methylpyrimidin-2-yl)-N-methylmorpholine-3-carboxamide (CID 107545051) is 4-(4-cyano-6-methylpyrimidin-2-yl)-N-methylmorpholine-3-carboxamide.

What is the SMILES notation for 4-(4-cyano-6-methylpyrimidin-2-yl)-N-methylmorpholine-3-carboxamide?

The canonical SMILES for 4-(4-cyano-6-methylpyrimidin-2-yl)-N-methylmorpholine-3-carboxamide is CNC(=O)C1COCCN1c1nc(C)cc(C#N)n1.

What is the InChIKey of 4-(4-cyano-6-methylpyrimidin-2-yl)-N-methylmorpholine-3-carboxamide?

The InChIKey is HMJACYKXLSWXSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O2/c1-8-5-9(6-13)16-12(15-8)17-3-4-19-7-10(17)11(18)14-2/h5,10H,3-4,7H2,1-2H3,(H,14,18).

What are the key properties of 4-(4-cyano-6-methylpyrimidin-2-yl)-N-methylmorpholine-3-carboxamide?

4-(4-cyano-6-methylpyrimidin-2-yl)-N-methylmorpholine-3-carboxamide has a molecular weight of 261.28 g/mol, XLogP of -0.39, 2 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-methylmorpholine-3-carboxamide is sourced from PubChem (CID 107545051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 107545051 — identifiers, structure, computed properties (public domain)

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