N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]-4-oxochromene-2-carboxamide

C19H18N4O4 — CID 122318781

IUPACN-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]-4-oxochromene-2-carboxamide
SMILESO=C(NCc1nccc(N2CCOCC2)n1)c1cc(=O)c2ccccc2o1
InChIInChI=1S/C19H18N4O4/c24-14-11-16(27-15-4-2-1-3-13(14)15)19(25)21-12-17-20-6-5-18(22-17)23-7-9-26-10-8-23/h1-6,11H,7-10,12H2,(H,21,25)
InChIKeyBRIWYXVDOBKYSK-UHFFFAOYSA-N
MW366.38 g/mol
LogP1.35
Rot. Bonds4

About N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]-4-oxochromene-2-carboxamide

N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]-4-oxochromene-2-carboxamide (PubChem CID 122318781) has the molecular formula C19H18N4O4 and a molecular weight of 366.38 g/mol. Its IUPAC name is N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]-4-oxochromene-2-carboxamide.

Molecular Properties

Compound NameN-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]-4-oxochromene-2-carboxamide
PubChem CID122318781
Molecular FormulaC19H18N4O4
Molecular Weight366.38 g/mol
Exact Mass366.13
IUPAC NameN-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]-4-oxochromene-2-carboxamide
SMILESO=C(NCc1nccc(N2CCOCC2)n1)c1cc(=O)c2ccccc2o1
InChIInChI=1S/C19H18N4O4/c24-14-11-16(27-15-4-2-1-3-13(14)15)19(25)21-12-17-20-6-5-18(22-17)23-7-9-26-10-8-23/h1-6,11H,7-10,12H2,(H,21,25)
InChIKeyBRIWYXVDOBKYSK-UHFFFAOYSA-N
XLogP1.35
TPSA97.56 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.38
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]-4-oxochromene-2-carboxamide
CID 122353411
N-[2-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]ethyl]-4-oxochromene-2-carboxamide
CID 122295157
7-methoxy-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]-1-benzofuran-2-carboxamide
CID 122318745
2-methyl-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]propanamide
CID 72718086
N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]-4-phenoxybenzamide
CID 122318793
4-fluoro-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]benzamide
CID 91966739
N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 122318873
N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]pentanamide
CID 72718087
N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide
CID 122318833
2-(benzimidazol-1-yl)-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]acetamide
CID 121137168
N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]-2-phenylbutanamide
CID 72718115
4-methyl-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]-1,3-thiazole-5-carboxamide
CID 122318875

Frequently Asked Questions

What is the IUPAC name of N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]-4-oxochromene-2-carboxamide?
The IUPAC name of N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]-4-oxochromene-2-carboxamide (CID 122318781) is N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]-4-oxochromene-2-carboxamide.
What is the SMILES notation for N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]-4-oxochromene-2-carboxamide?
The canonical SMILES for N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]-4-oxochromene-2-carboxamide is O=C(NCc1nccc(N2CCOCC2)n1)c1cc(=O)c2ccccc2o1.
What is the InChIKey of N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]-4-oxochromene-2-carboxamide?
The InChIKey is BRIWYXVDOBKYSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O4/c24-14-11-16(27-15-4-2-1-3-13(14)15)19(25)21-12-17-20-6-5-18(22-17)23-7-9-26-10-8-23/h1-6,11H,7-10,12H2,(H,21,25).
What are the key properties of N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]-4-oxochromene-2-carboxamide?
N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]-4-oxochromene-2-carboxamide has a molecular weight of 366.38 g/mol, XLogP of 1.35, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]-4-oxochromene-2-carboxamide is sourced from PubChem (CID 122318781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).