4-(4-cyano-6-methylpyrimidin-2-yl)morpholine-3-carboxamide

C11H13N5O2 — CID 107545048

IUPAC4-(4-cyano-6-methylpyrimidin-2-yl)morpholine-3-carboxamide
SMILESCc1cc(C#N)nc(N2CCOCC2C(N)=O)n1
InChIInChI=1S/C11H13N5O2/c1-7-4-8(5-12)15-11(14-7)16-2-3-18-6-9(16)10(13)17/h4,9H,2-3,6H2,1H3,(H2,13,17)
InChIKeyMNKVMKDWWCDSBS-UHFFFAOYSA-N
MW247.26 g/mol
LogP-0.65
Rot. Bonds2

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

4-(4-cyano-6-methylpyrimidin-2-yl)morpholine-3-carboxamide (PubChem CID 107545048) has the molecular formula C11H13N5O2 and a molecular weight of 247.26 g/mol. Its IUPAC name is 4-(4-cyano-6-methylpyrimidin-2-yl)morpholine-3-carboxamide.

Molecular Properties

Compound Name4-(4-cyano-6-methylpyrimidin-2-yl)morpholine-3-carboxamide
PubChem CID107545048
Molecular FormulaC11H13N5O2
Molecular Weight247.26 g/mol
Exact Mass247.11
IUPAC Name4-(4-cyano-6-methylpyrimidin-2-yl)morpholine-3-carboxamide
SMILESCc1cc(C#N)nc(N2CCOCC2C(N)=O)n1
InChIInChI=1S/C11H13N5O2/c1-7-4-8(5-12)15-11(14-7)16-2-3-18-6-9(16)10(13)17/h4,9H,2-3,6H2,1H3,(H2,13,17)
InChIKeyMNKVMKDWWCDSBS-UHFFFAOYSA-N
XLogP-0.65
TPSA105.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.26
LogP ≤ 5-0.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(4,6-dimethylpyrimidin-2-yl)morpholine-3-carboxamide
CID 75483897
4-(4-cyano-6-methylpyrimidin-2-yl)-N-methylmorpholine-3-carboxamide
CID 107545051
4-(4-cyano-6-methylpyrimidin-2-yl)-N-propylmorpholine-3-carboxamide
CID 107545052
4-(4-cyano-6-methylpyrimidin-2-yl)-N-cyclopropylmorpholine-3-carboxamide
CID 107545054
4-(6-cyano-3-pyridinyl)morpholine-3-carboxamide
CID 83102538
4-(4-cyanopyrimidin-2-yl)morpholine-3-carboxylic acid
CID 107543044
4-(4-cyanopyridazin-3-yl)morpholine-3-carboxamide
CID 83102200
4-(4-amino-2-cyanophenyl)morpholine-3-carboxamide
CID 83094570
4-[2-(ethylamino)-6-methylpyrimidin-4-yl]morpholine-3-carboxamide
CID 83106116
4-(3-amino-4-methylphenyl)morpholine-3-carboxamide
CID 83101423
4-(4-amino-6-methoxy-1,3,5-triazin-2-yl)morpholine-3-carboxamide
CID 83095941
4-(3-carbamoylmorpholin-4-yl)-2-methylbenzoic acid
CID 83096397

Frequently Asked Questions

What is the IUPAC name of 4-(4-cyano-6-methylpyrimidin-2-yl)morpholine-3-carboxamide?
The IUPAC name of 4-(4-cyano-6-methylpyrimidin-2-yl)morpholine-3-carboxamide (CID 107545048) is 4-(4-cyano-6-methylpyrimidin-2-yl)morpholine-3-carboxamide.
What is the SMILES notation for 4-(4-cyano-6-methylpyrimidin-2-yl)morpholine-3-carboxamide?
The canonical SMILES for 4-(4-cyano-6-methylpyrimidin-2-yl)morpholine-3-carboxamide is Cc1cc(C#N)nc(N2CCOCC2C(N)=O)n1.
What is the InChIKey of 4-(4-cyano-6-methylpyrimidin-2-yl)morpholine-3-carboxamide?
The InChIKey is MNKVMKDWWCDSBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O2/c1-7-4-8(5-12)15-11(14-7)16-2-3-18-6-9(16)10(13)17/h4,9H,2-3,6H2,1H3,(H2,13,17).
What are the key properties of 4-(4-cyano-6-methylpyrimidin-2-yl)morpholine-3-carboxamide?
4-(4-cyano-6-methylpyrimidin-2-yl)morpholine-3-carboxamide has a molecular weight of 247.26 g/mol, XLogP of -0.65, 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)morpholine-3-carboxamide is sourced from PubChem (CID 107545048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).