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

C19H24N4O2 — CID 72718115

IUPACN-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]-2-phenylbutanamide
SMILESCCC(C(=O)NCc1nccc(N2CCOCC2)n1)c1ccccc1
InChIInChI=1S/C19H24N4O2/c1-2-16(15-6-4-3-5-7-15)19(24)21-14-17-20-9-8-18(22-17)23-10-12-25-13-11-23/h3-9,16H,2,10-14H2,1H3,(H,21,24)
InChIKeyXZOGBLUAXFBYMR-UHFFFAOYSA-N
MW340.43 g/mol
LogP2.12
Rot. Bonds6

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

N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]-2-phenylbutanamide (PubChem CID 72718115) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]-2-phenylbutanamide.

Molecular Properties

Compound NameN-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]-2-phenylbutanamide
PubChem CID72718115
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC NameN-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]-2-phenylbutanamide
SMILESCCC(C(=O)NCc1nccc(N2CCOCC2)n1)c1ccccc1
InChIInChI=1S/C19H24N4O2/c1-2-16(15-6-4-3-5-7-15)19(24)21-14-17-20-9-8-18(22-17)23-10-12-25-13-11-23/h3-9,16H,2,10-14H2,1H3,(H,21,24)
InChIKeyXZOGBLUAXFBYMR-UHFFFAOYSA-N
XLogP2.12
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]propanamide
CID 72718086
N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]pentanamide
CID 72718087
1-(2-ethoxyphenyl)-3-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]urea
CID 91966791
2,2-diphenyl-N-[(4-piperidin-1-ylpyrimidin-2-yl)methyl]acetamide
CID 91966645
N-(6-morpholin-4-yl-3-pyridinyl)-2-phenylbutanamide
CID 42940174
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
6-methoxy-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]pyridine-3-carboxamide
CID 122318877
(2S)-N-[4-(6-morpholin-4-ylpyridazin-3-yl)phenyl]-2-phenylbutanamide
CID 7593356
2-(benzimidazol-1-yl)-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]acetamide
CID 121137168
N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]oxolane-3-carboxamide
CID 122318827
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]-2-phenylbutanamide?
The IUPAC name of N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]-2-phenylbutanamide (CID 72718115) is N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]-2-phenylbutanamide.
What is the SMILES notation for N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]-2-phenylbutanamide?
The canonical SMILES for N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]-2-phenylbutanamide is CCC(C(=O)NCc1nccc(N2CCOCC2)n1)c1ccccc1.
What is the InChIKey of N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]-2-phenylbutanamide?
The InChIKey is XZOGBLUAXFBYMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-2-16(15-6-4-3-5-7-15)19(24)21-14-17-20-9-8-18(22-17)23-10-12-25-13-11-23/h3-9,16H,2,10-14H2,1H3,(H,21,24).
What are the key properties of N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]-2-phenylbutanamide?
N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]-2-phenylbutanamide has a molecular weight of 340.43 g/mol, XLogP of 2.12, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]-2-phenylbutanamide is sourced from PubChem (CID 72718115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).