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

C12H15N5O2 — CID 107545051

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 Name4-(4-cyano-6-methylpyrimidin-2-yl)-N-methylmorpholine-3-carboxamide
PubChem CID107545051
Molecular FormulaC12H15N5O2
Molecular Weight261.28 g/mol
Exact Mass261.12
IUPAC Name4-(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
XLogP-0.39
TPSA91.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 5-0.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(4-cyano-6-methylpyrimidin-2-yl)-N-cyclopropylmorpholine-3-carboxamide
CID 107545054
4-(4-cyano-6-methylpyrimidin-2-yl)-N-propylmorpholine-3-carboxamide
CID 107545052
4-(4-cyano-6-methylpyrimidin-2-yl)morpholine-3-carboxamide
CID 107545048
4-(4,6-dichloro-1,3,5-triazin-2-yl)-N-methylmorpholine-3-carboxamide
CID 83103129
4-(5-amino-6-cyano-2-pyridinyl)-N-methylmorpholine-3-carboxamide
CID 103468954
4-(3-cyano-4-methyl-2-pyridinyl)-N-methylmorpholine-3-carboxamide
CID 83099052
4-(4,6-dimethylpyrimidin-2-yl)morpholine-3-carboxamide
CID 75483897
4-(4-cyanopyrimidin-2-yl)morpholine-3-carboxylic acid
CID 107543044
4-[(4-cyano-2-methylphenyl)methyl]-N-methylmorpholine-3-carboxamide
CID 114481288
4-[(6-cyano-3-pyridinyl)sulfonyl]-N-methylmorpholine-3-carboxamide
CID 114613914
4-(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)-N-methylmorpholine-3-carboxamide
CID 83105799
1-(4-cyano-6-methyl-2-pyridinyl)-N-methylpiperazine-2-carboxamide
CID 114770105

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).