N-[(2R)-butan-2-yl]-2-(4-methylphenyl)-4-morpholin-4-ylpyrimidine-5-carboxamide

C20H26N4O2 — CID 93138161

IUPACN-[(2R)-butan-2-yl]-2-(4-methylphenyl)-4-morpholin-4-ylpyrimidine-5-carboxamide
SMILESCC[C@@H](C)NC(=O)c1cnc(-c2ccc(C)cc2)nc1N1CCOCC1
InChIInChI=1S/C20H26N4O2/c1-4-15(3)22-20(25)17-13-21-18(16-7-5-14(2)6-8-16)23-19(17)24-9-11-26-12-10-24/h5-8,13,15H,4,9-12H2,1-3H3,(H,22,25)/t15-/m1/s1
InChIKeyOPNTWULASOLGLL-OAHLLOKOSA-N
MW354.45 g/mol
LogP2.82
Rot. Bonds5

About N-[(2R)-butan-2-yl]-2-(4-methylphenyl)-4-morpholin-4-ylpyrimidine-5-carboxamide

N-[(2R)-butan-2-yl]-2-(4-methylphenyl)-4-morpholin-4-ylpyrimidine-5-carboxamide (PubChem CID 93138161) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is N-[(2R)-butan-2-yl]-2-(4-methylphenyl)-4-morpholin-4-ylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[(2R)-butan-2-yl]-2-(4-methylphenyl)-4-morpholin-4-ylpyrimidine-5-carboxamide
PubChem CID93138161
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC NameN-[(2R)-butan-2-yl]-2-(4-methylphenyl)-4-morpholin-4-ylpyrimidine-5-carboxamide
SMILESCC[C@@H](C)NC(=O)c1cnc(-c2ccc(C)cc2)nc1N1CCOCC1
InChIInChI=1S/C20H26N4O2/c1-4-15(3)22-20(25)17-13-21-18(16-7-5-14(2)6-8-16)23-19(17)24-9-11-26-12-10-24/h5-8,13,15H,4,9-12H2,1-3H3,(H,22,25)/t15-/m1/s1
InChIKeyOPNTWULASOLGLL-OAHLLOKOSA-N
XLogP2.82
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2S)-butan-2-yl]-2-(4-methylphenyl)-4-morpholin-4-ylpyrimidine-5-carboxamide
CID 93138162
2-(4-methylphenyl)-4-(4-methylpiperazin-1-yl)-N-(1-phenylethyl)pyrimidine-5-carboxamide
CID 42671005
2-(4-methylphenyl)-N-(oxolan-2-ylmethyl)-4-piperidin-1-ylpyrimidine-5-carboxamide
CID 42670318
2-(4-fluorophenyl)-4-morpholin-4-ylpyrimidine-5-carboxylic acid
CID 53214965
2-(4-methylphenyl)-4-piperidin-1-ylpyrimidine-5-carboxylic acid
CID 42669970
N-butan-2-yl-4-morpholin-4-ylbenzamide
CID 47147969
N-(2-methoxyethyl)-2-(4-methylphenyl)-4-(4-methylpiperidin-1-yl)pyrimidine-5-carboxamide
CID 42670340
2-(3-methylphenyl)-4-morpholin-4-yl-N-(pyridin-4-ylmethyl)pyrimidine-5-carboxamide
CID 42670736
N-butan-2-yl-5-morpholin-4-ylpyridine-2-carboxamide
CID 109181400
N-butan-2-yl-4-[4-(2-fluorophenyl)piperazin-1-yl]-2-(3,4,5-trimethoxyphenyl)pyrimidine-5-carboxamide
CID 42671328
N-[(2S)-butan-2-yl]-4-(dimethylamino)-2-(4-fluorophenyl)pyrimidine-5-carboxamide
CID 93140853
N-butan-2-yl-4-morpholin-4-ylquinazoline-6-carboxamide
CID 71842372

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-butan-2-yl]-2-(4-methylphenyl)-4-morpholin-4-ylpyrimidine-5-carboxamide?
The IUPAC name of N-[(2R)-butan-2-yl]-2-(4-methylphenyl)-4-morpholin-4-ylpyrimidine-5-carboxamide (CID 93138161) is N-[(2R)-butan-2-yl]-2-(4-methylphenyl)-4-morpholin-4-ylpyrimidine-5-carboxamide.
What is the SMILES notation for N-[(2R)-butan-2-yl]-2-(4-methylphenyl)-4-morpholin-4-ylpyrimidine-5-carboxamide?
The canonical SMILES for N-[(2R)-butan-2-yl]-2-(4-methylphenyl)-4-morpholin-4-ylpyrimidine-5-carboxamide is CC[C@@H](C)NC(=O)c1cnc(-c2ccc(C)cc2)nc1N1CCOCC1.
What is the InChIKey of N-[(2R)-butan-2-yl]-2-(4-methylphenyl)-4-morpholin-4-ylpyrimidine-5-carboxamide?
The InChIKey is OPNTWULASOLGLL-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H26N4O2/c1-4-15(3)22-20(25)17-13-21-18(16-7-5-14(2)6-8-16)23-19(17)24-9-11-26-12-10-24/h5-8,13,15H,4,9-12H2,1-3H3,(H,22,25)/t15-/m1/s1.
What are the key properties of N-[(2R)-butan-2-yl]-2-(4-methylphenyl)-4-morpholin-4-ylpyrimidine-5-carboxamide?
N-[(2R)-butan-2-yl]-2-(4-methylphenyl)-4-morpholin-4-ylpyrimidine-5-carboxamide has a molecular weight of 354.45 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-butan-2-yl]-2-(4-methylphenyl)-4-morpholin-4-ylpyrimidine-5-carboxamide is sourced from PubChem (CID 93138161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).