N-(4-tert-butylphenyl)-2-morpholin-4-ylpyrimidine-4-carboxamide

C19H24N4O2 — CID 109300433

IUPACN-(4-tert-butylphenyl)-2-morpholin-4-ylpyrimidine-4-carboxamide
SMILESCC(C)(C)c1ccc(NC(=O)c2ccnc(N3CCOCC3)n2)cc1
InChIInChI=1S/C19H24N4O2/c1-19(2,3)14-4-6-15(7-5-14)21-17(24)16-8-9-20-18(22-16)23-10-12-25-13-11-23/h4-9H,10-13H2,1-3H3,(H,21,24)
InChIKeyGBWPJUGTZLOVAA-UHFFFAOYSA-N
MW340.43 g/mol
LogP2.86
Rot. Bonds3

About N-(4-tert-butylphenyl)-2-morpholin-4-ylpyrimidine-4-carboxamide

N-(4-tert-butylphenyl)-2-morpholin-4-ylpyrimidine-4-carboxamide (PubChem CID 109300433) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-2-morpholin-4-ylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-2-morpholin-4-ylpyrimidine-4-carboxamide
PubChem CID109300433
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC NameN-(4-tert-butylphenyl)-2-morpholin-4-ylpyrimidine-4-carboxamide
SMILESCC(C)(C)c1ccc(NC(=O)c2ccnc(N3CCOCC3)n2)cc1
InChIInChI=1S/C19H24N4O2/c1-19(2,3)14-4-6-15(7-5-14)21-17(24)16-8-9-20-18(22-16)23-10-12-25-13-11-23/h4-9H,10-13H2,1-3H3,(H,21,24)
InChIKeyGBWPJUGTZLOVAA-UHFFFAOYSA-N
XLogP2.86
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-chlorophenyl)-2-morpholin-4-ylpyrimidine-4-carboxamide
CID 109300438
methyl 4-[(2-morpholin-4-ylpyrimidine-4-carbonyl)amino]benzoate
CID 109300468
N-(3,5-dimethylphenyl)-2-morpholin-4-ylpyrimidine-4-carboxamide
CID 109300420
2-morpholin-4-yl-N-(4-phenoxyphenyl)pyrimidine-4-carboxamide
CID 109300479
N-(4-tert-butylphenyl)-2-(3-methylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109312677
N-(1,3-benzodioxol-5-yl)-2-morpholin-4-ylpyrimidine-4-carboxamide
CID 109300487
2-pyrrolidin-1-yl-N-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
CID 109297598
2-(4-methylpiperazin-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
CID 109302142
N-(4-tert-butylphenyl)-6-morpholin-4-ylpyrimidine-4-carboxamide
CID 109343498
N-(4-methylphenyl)-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 109297550
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-morpholin-4-ylpyrimidine-4-carboxamide
CID 109300470
N-(1-methylbenzimidazol-2-yl)-2-morpholin-4-ylpyrimidine-4-carboxamide
CID 139022042

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-2-morpholin-4-ylpyrimidine-4-carboxamide?
The IUPAC name of N-(4-tert-butylphenyl)-2-morpholin-4-ylpyrimidine-4-carboxamide (CID 109300433) is N-(4-tert-butylphenyl)-2-morpholin-4-ylpyrimidine-4-carboxamide.
What is the SMILES notation for N-(4-tert-butylphenyl)-2-morpholin-4-ylpyrimidine-4-carboxamide?
The canonical SMILES for N-(4-tert-butylphenyl)-2-morpholin-4-ylpyrimidine-4-carboxamide is CC(C)(C)c1ccc(NC(=O)c2ccnc(N3CCOCC3)n2)cc1.
What is the InChIKey of N-(4-tert-butylphenyl)-2-morpholin-4-ylpyrimidine-4-carboxamide?
The InChIKey is GBWPJUGTZLOVAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-19(2,3)14-4-6-15(7-5-14)21-17(24)16-8-9-20-18(22-16)23-10-12-25-13-11-23/h4-9H,10-13H2,1-3H3,(H,21,24).
What are the key properties of N-(4-tert-butylphenyl)-2-morpholin-4-ylpyrimidine-4-carboxamide?
N-(4-tert-butylphenyl)-2-morpholin-4-ylpyrimidine-4-carboxamide has a molecular weight of 340.43 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylphenyl)-2-morpholin-4-ylpyrimidine-4-carboxamide is sourced from PubChem (CID 109300433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).