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

C20H26N4O2 — CID 93138162

IUPACN-[(2S)-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-/m0/s1
InChIKeyOPNTWULASOLGLL-HNNXBMFYSA-N
MW354.45 g/mol
LogP2.82
Rot. Bonds5

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

N-[(2S)-butan-2-yl]-2-(4-methylphenyl)-4-morpholin-4-ylpyrimidine-5-carboxamide (PubChem CID 93138162) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is N-[(2S)-butan-2-yl]-2-(4-methylphenyl)-4-morpholin-4-ylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[(2S)-butan-2-yl]-2-(4-methylphenyl)-4-morpholin-4-ylpyrimidine-5-carboxamide
PubChem CID93138162
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC NameN-[(2S)-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-/m0/s1
InChIKeyOPNTWULASOLGLL-HNNXBMFYSA-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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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-butan-2-yl]-2-(4-methylphenyl)-4-morpholin-4-ylpyrimidine-5-carboxamide?
The IUPAC name of N-[(2S)-butan-2-yl]-2-(4-methylphenyl)-4-morpholin-4-ylpyrimidine-5-carboxamide (CID 93138162) is N-[(2S)-butan-2-yl]-2-(4-methylphenyl)-4-morpholin-4-ylpyrimidine-5-carboxamide.
What is the SMILES notation for N-[(2S)-butan-2-yl]-2-(4-methylphenyl)-4-morpholin-4-ylpyrimidine-5-carboxamide?
The canonical SMILES for N-[(2S)-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-[(2S)-butan-2-yl]-2-(4-methylphenyl)-4-morpholin-4-ylpyrimidine-5-carboxamide?
The InChIKey is OPNTWULASOLGLL-HNNXBMFYSA-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-/m0/s1.
What are the key properties of N-[(2S)-butan-2-yl]-2-(4-methylphenyl)-4-morpholin-4-ylpyrimidine-5-carboxamide?
N-[(2S)-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-[(2S)-butan-2-yl]-2-(4-methylphenyl)-4-morpholin-4-ylpyrimidine-5-carboxamide is sourced from PubChem (CID 93138162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).