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

C14H19N5O2 — CID 107545052

IUPAC4-(4-cyano-6-methylpyrimidin-2-yl)-N-propylmorpholine-3-carboxamide
SMILESCCCNC(=O)C1COCCN1c1nc(C)cc(C#N)n1
InChIInChI=1S/C14H19N5O2/c1-3-4-16-13(20)12-9-21-6-5-19(12)14-17-10(2)7-11(8-15)18-14/h7,12H,3-6,9H2,1-2H3,(H,16,20)
InChIKeyCWGLOBZABPGHRP-UHFFFAOYSA-N
MW289.34 g/mol
LogP0.39
Rot. Bonds4

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

4-(4-cyano-6-methylpyrimidin-2-yl)-N-propylmorpholine-3-carboxamide (PubChem CID 107545052) has the molecular formula C14H19N5O2 and a molecular weight of 289.34 g/mol. Its IUPAC name is 4-(4-cyano-6-methylpyrimidin-2-yl)-N-propylmorpholine-3-carboxamide.

Molecular Properties

Compound Name4-(4-cyano-6-methylpyrimidin-2-yl)-N-propylmorpholine-3-carboxamide
PubChem CID107545052
Molecular FormulaC14H19N5O2
Molecular Weight289.34 g/mol
Exact Mass289.15
IUPAC Name4-(4-cyano-6-methylpyrimidin-2-yl)-N-propylmorpholine-3-carboxamide
SMILESCCCNC(=O)C1COCCN1c1nc(C)cc(C#N)n1
InChIInChI=1S/C14H19N5O2/c1-3-4-16-13(20)12-9-21-6-5-19(12)14-17-10(2)7-11(8-15)18-14/h7,12H,3-6,9H2,1-2H3,(H,16,20)
InChIKeyCWGLOBZABPGHRP-UHFFFAOYSA-N
XLogP0.39
TPSA91.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(4-cyano-6-methylpyrimidin-2-yl)-N-methylmorpholine-3-carboxamide
CID 107545051
4-(4-cyano-6-methylpyrimidin-2-yl)morpholine-3-carboxamide
CID 107545048
4-(4-cyano-6-methylpyrimidin-2-yl)-N-cyclopropylmorpholine-3-carboxamide
CID 107545054
4-(5-bromo-2-cyanophenyl)-N-propylmorpholine-3-carboxamide
CID 114902124
4-(2-amino-3-cyanophenyl)-N-propylmorpholine-3-carboxamide
CID 104717015
4-(4,6-dimethylpyrimidin-2-yl)morpholine-3-carboxamide
CID 75483897
4-(2-amino-6-hydrazinylpyrimidin-4-yl)-N-propylmorpholine-3-carboxamide
CID 83104525
4-(2-fluoro-4-pyridinyl)-N-propylmorpholine-3-carboxamide
CID 113367388
4-[(3-cyanophenyl)methyl]-N-propylmorpholine-3-carboxamide
CID 83097683
4-(3-bromo-5-methyl-2-pyridinyl)-N-propylmorpholine-3-carboxamide
CID 105368068
6-[3-(propylcarbamoyl)morpholin-4-yl]pyridine-3-carboxylic acid
CID 83102742
4-(5-amino-3-pyridinyl)-N-propylmorpholine-3-carboxamide
CID 104535679

Frequently Asked Questions

What is the IUPAC name of 4-(4-cyano-6-methylpyrimidin-2-yl)-N-propylmorpholine-3-carboxamide?
The IUPAC name of 4-(4-cyano-6-methylpyrimidin-2-yl)-N-propylmorpholine-3-carboxamide (CID 107545052) is 4-(4-cyano-6-methylpyrimidin-2-yl)-N-propylmorpholine-3-carboxamide.
What is the SMILES notation for 4-(4-cyano-6-methylpyrimidin-2-yl)-N-propylmorpholine-3-carboxamide?
The canonical SMILES for 4-(4-cyano-6-methylpyrimidin-2-yl)-N-propylmorpholine-3-carboxamide is CCCNC(=O)C1COCCN1c1nc(C)cc(C#N)n1.
What is the InChIKey of 4-(4-cyano-6-methylpyrimidin-2-yl)-N-propylmorpholine-3-carboxamide?
The InChIKey is CWGLOBZABPGHRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O2/c1-3-4-16-13(20)12-9-21-6-5-19(12)14-17-10(2)7-11(8-15)18-14/h7,12H,3-6,9H2,1-2H3,(H,16,20).
What are the key properties of 4-(4-cyano-6-methylpyrimidin-2-yl)-N-propylmorpholine-3-carboxamide?
4-(4-cyano-6-methylpyrimidin-2-yl)-N-propylmorpholine-3-carboxamide has a molecular weight of 289.34 g/mol, XLogP of 0.39, 4 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-propylmorpholine-3-carboxamide is sourced from PubChem (CID 107545052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).