N-methyl-N-[(2S)-2-morpholin-4-ylpropyl]-2-phenylpyrimidine-5-carboxamide

C19H24N4O2 — CID 95551014

IUPACN-methyl-N-[(2S)-2-morpholin-4-ylpropyl]-2-phenylpyrimidine-5-carboxamide
SMILESC[C@@H](CN(C)C(=O)c1cnc(-c2ccccc2)nc1)N1CCOCC1
InChIInChI=1S/C19H24N4O2/c1-15(23-8-10-25-11-9-23)14-22(2)19(24)17-12-20-18(21-13-17)16-6-4-3-5-7-16/h3-7,12-13,15H,8-11,14H2,1-2H3/t15-/m0/s1
InChIKeyKHOZCFDELXECPO-HNNXBMFYSA-N
MW340.43 g/mol
LogP1.94
Rot. Bonds5

About N-methyl-N-[(2S)-2-morpholin-4-ylpropyl]-2-phenylpyrimidine-5-carboxamide

N-methyl-N-[(2S)-2-morpholin-4-ylpropyl]-2-phenylpyrimidine-5-carboxamide (PubChem CID 95551014) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is N-methyl-N-[(2S)-2-morpholin-4-ylpropyl]-2-phenylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[(2S)-2-morpholin-4-ylpropyl]-2-phenylpyrimidine-5-carboxamide
PubChem CID95551014
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC NameN-methyl-N-[(2S)-2-morpholin-4-ylpropyl]-2-phenylpyrimidine-5-carboxamide
SMILESC[C@@H](CN(C)C(=O)c1cnc(-c2ccccc2)nc1)N1CCOCC1
InChIInChI=1S/C19H24N4O2/c1-15(23-8-10-25-11-9-23)14-22(2)19(24)17-12-20-18(21-13-17)16-6-4-3-5-7-16/h3-7,12-13,15H,8-11,14H2,1-2H3/t15-/m0/s1
InChIKeyKHOZCFDELXECPO-HNNXBMFYSA-N
XLogP1.94
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2-acetylphenyl)-N-methyl-N-[(2R)-2-morpholin-4-ylpropyl]benzamide
CID 126428736
4-(2-acetylphenyl)-N-methyl-N-[(2S)-2-morpholin-4-ylpropyl]benzamide
CID 126428735
N-methyl-2-(2-methylprop-2-enoxy)-N-(2-morpholin-4-ylpropyl)benzamide
CID 46983829
N-methyl-2-morpholin-4-yl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]pyrimidine-5-carboxamide
CID 70704279
N-(1-hydroxypropan-2-yl)-N-methyl-2-phenylpyrimidine-5-carboxamide
CID 109388553
1-methyl-3-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-1-[(2S)-2-morpholin-4-ylpropyl]urea
CID 126452651
N,1-dimethyl-N-(2-morpholin-4-ylpropyl)-5-oxo-4H-1,2,4-triazole-3-carboxamide
CID 165423093
N-methyl-N-(2-morpholin-4-yl-2-oxoethyl)-4-phenylbenzamide
CID 9225813
N-(1H-imidazol-2-ylmethyl)-N-methyl-2-phenylpyrimidine-5-carboxamide
CID 50954561
4-[(2R)-1-phenylpropan-2-yl]morpholine
CID 71110957
N-methyl-N-[(2R)-2-morpholin-4-ylpropyl]-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine
CID 95729116
4-(2-phenylpyrimidine-5-carbonyl)morpholine-3-carboxylic acid
CID 122146528

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(2S)-2-morpholin-4-ylpropyl]-2-phenylpyrimidine-5-carboxamide?
The IUPAC name of N-methyl-N-[(2S)-2-morpholin-4-ylpropyl]-2-phenylpyrimidine-5-carboxamide (CID 95551014) is N-methyl-N-[(2S)-2-morpholin-4-ylpropyl]-2-phenylpyrimidine-5-carboxamide.
What is the SMILES notation for N-methyl-N-[(2S)-2-morpholin-4-ylpropyl]-2-phenylpyrimidine-5-carboxamide?
The canonical SMILES for N-methyl-N-[(2S)-2-morpholin-4-ylpropyl]-2-phenylpyrimidine-5-carboxamide is C[C@@H](CN(C)C(=O)c1cnc(-c2ccccc2)nc1)N1CCOCC1.
What is the InChIKey of N-methyl-N-[(2S)-2-morpholin-4-ylpropyl]-2-phenylpyrimidine-5-carboxamide?
The InChIKey is KHOZCFDELXECPO-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-15(23-8-10-25-11-9-23)14-22(2)19(24)17-12-20-18(21-13-17)16-6-4-3-5-7-16/h3-7,12-13,15H,8-11,14H2,1-2H3/t15-/m0/s1.
What are the key properties of N-methyl-N-[(2S)-2-morpholin-4-ylpropyl]-2-phenylpyrimidine-5-carboxamide?
N-methyl-N-[(2S)-2-morpholin-4-ylpropyl]-2-phenylpyrimidine-5-carboxamide has a molecular weight of 340.43 g/mol, XLogP of 1.94, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(2S)-2-morpholin-4-ylpropyl]-2-phenylpyrimidine-5-carboxamide is sourced from PubChem (CID 95551014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).