N-[(1-methyl-6-oxo-5-propan-2-ylpyrimidin-2-yl)-phenylmethyl]-2-morpholin-4-ylacetamide

C21H28N4O3 — CID 58751803

IUPACN-[(1-methyl-6-oxo-5-propan-2-ylpyrimidin-2-yl)-phenylmethyl]-2-morpholin-4-ylacetamide
SMILESCC(C)c1cnc(C(NC(=O)CN2CCOCC2)c2ccccc2)n(C)c1=O
InChIInChI=1S/C21H28N4O3/c1-15(2)17-13-22-20(24(3)21(17)27)19(16-7-5-4-6-8-16)23-18(26)14-25-9-11-28-12-10-25/h4-8,13,15,19H,9-12,14H2,1-3H3,(H,23,26)
InChIKeyUQCCZBNFRQXLJA-UHFFFAOYSA-N
MW384.48 g/mol
LogP1.44
Rot. Bonds6

About N-[(1-methyl-6-oxo-5-propan-2-ylpyrimidin-2-yl)-phenylmethyl]-2-morpholin-4-ylacetamide

N-[(1-methyl-6-oxo-5-propan-2-ylpyrimidin-2-yl)-phenylmethyl]-2-morpholin-4-ylacetamide (PubChem CID 58751803) has the molecular formula C21H28N4O3 and a molecular weight of 384.48 g/mol. Its IUPAC name is N-[(1-methyl-6-oxo-5-propan-2-ylpyrimidin-2-yl)-phenylmethyl]-2-morpholin-4-ylacetamide.

Molecular Properties

Compound NameN-[(1-methyl-6-oxo-5-propan-2-ylpyrimidin-2-yl)-phenylmethyl]-2-morpholin-4-ylacetamide
PubChem CID58751803
Molecular FormulaC21H28N4O3
Molecular Weight384.48 g/mol
Exact Mass384.22
IUPAC NameN-[(1-methyl-6-oxo-5-propan-2-ylpyrimidin-2-yl)-phenylmethyl]-2-morpholin-4-ylacetamide
SMILESCC(C)c1cnc(C(NC(=O)CN2CCOCC2)c2ccccc2)n(C)c1=O
InChIInChI=1S/C21H28N4O3/c1-15(2)17-13-22-20(24(3)21(17)27)19(16-7-5-4-6-8-16)23-18(26)14-25-9-11-28-12-10-25/h4-8,13,15,19H,9-12,14H2,1-3H3,(H,23,26)
InChIKeyUQCCZBNFRQXLJA-UHFFFAOYSA-N
XLogP1.44
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

CID 163538506
CID 163538506
N-[(S)-(1,5-dimethyl-6-oxopyrimidin-2-yl)-phenylmethyl]-2-phenylacetamide
CID 70924516
N-[(1-methylimidazol-2-yl)-phenylmethyl]-2-piperidin-1-ylacetamide
CID 17490913
2-[7-(carboxymethyl)-4-[2-oxo-2-(1-phenylethylamino)ethyl]-10-[2-[[2-(1,4,7,10,13-pentaoxa-16-azacyclooctadec-16-yl)acetyl]amino]ethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
CID 122380737
2-morpholin-4-yl-N-[(1R)-1-naphthalen-2-ylethyl]acetamide
CID 8903869
N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]-2,2-diphenylacetamide
CID 16612010
3-methyl-2-[(S)-phenyl-(piperidin-3-ylamino)methyl]-5-propan-2-ylpyrimidin-4-one
CID 58751764
N-[(1-methylimidazol-2-yl)-phenylmethyl]-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]acetamide
CID 24683970
4-(2-morpholin-4-ylethyl)-N-(1-phenylethyl)piperazine-1-carboxamide
CID 113105903
N-[(4-fluorophenyl)-pyridin-4-ylmethyl]-2-morpholin-4-ylacetamide
CID 110444227
2-morpholin-4-yl-N-[1-phenyl-3-(1,2,4-triazol-1-yl)propyl]acetamide
CID 90652831
N-[(1S)-1-(4-fluorophenyl)ethyl]-2-morpholin-4-ylacetamide
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Frequently Asked Questions

What is the IUPAC name of N-[(1-methyl-6-oxo-5-propan-2-ylpyrimidin-2-yl)-phenylmethyl]-2-morpholin-4-ylacetamide?
The IUPAC name of N-[(1-methyl-6-oxo-5-propan-2-ylpyrimidin-2-yl)-phenylmethyl]-2-morpholin-4-ylacetamide (CID 58751803) is N-[(1-methyl-6-oxo-5-propan-2-ylpyrimidin-2-yl)-phenylmethyl]-2-morpholin-4-ylacetamide.
What is the SMILES notation for N-[(1-methyl-6-oxo-5-propan-2-ylpyrimidin-2-yl)-phenylmethyl]-2-morpholin-4-ylacetamide?
The canonical SMILES for N-[(1-methyl-6-oxo-5-propan-2-ylpyrimidin-2-yl)-phenylmethyl]-2-morpholin-4-ylacetamide is CC(C)c1cnc(C(NC(=O)CN2CCOCC2)c2ccccc2)n(C)c1=O.
What is the InChIKey of N-[(1-methyl-6-oxo-5-propan-2-ylpyrimidin-2-yl)-phenylmethyl]-2-morpholin-4-ylacetamide?
The InChIKey is UQCCZBNFRQXLJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O3/c1-15(2)17-13-22-20(24(3)21(17)27)19(16-7-5-4-6-8-16)23-18(26)14-25-9-11-28-12-10-25/h4-8,13,15,19H,9-12,14H2,1-3H3,(H,23,26).
What are the key properties of N-[(1-methyl-6-oxo-5-propan-2-ylpyrimidin-2-yl)-phenylmethyl]-2-morpholin-4-ylacetamide?
N-[(1-methyl-6-oxo-5-propan-2-ylpyrimidin-2-yl)-phenylmethyl]-2-morpholin-4-ylacetamide has a molecular weight of 384.48 g/mol, XLogP of 1.44, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methyl-6-oxo-5-propan-2-ylpyrimidin-2-yl)-phenylmethyl]-2-morpholin-4-ylacetamide is sourced from PubChem (CID 58751803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).