N-(3,5-dimethylphenyl)-2-morpholin-4-ylpyrimidine-4-carboxamide

C17H20N4O2 — CID 109300420

IUPACN-(3,5-dimethylphenyl)-2-morpholin-4-ylpyrimidine-4-carboxamide
SMILESCc1cc(C)cc(NC(=O)c2ccnc(N3CCOCC3)n2)c1
InChIInChI=1S/C17H20N4O2/c1-12-9-13(2)11-14(10-12)19-16(22)15-3-4-18-17(20-15)21-5-7-23-8-6-21/h3-4,9-11H,5-8H2,1-2H3,(H,19,22)
InChIKeyBJXPIAJJJICKTG-UHFFFAOYSA-N
MW312.37 g/mol
LogP2.18
Rot. Bonds3

About N-(3,5-dimethylphenyl)-2-morpholin-4-ylpyrimidine-4-carboxamide

N-(3,5-dimethylphenyl)-2-morpholin-4-ylpyrimidine-4-carboxamide (PubChem CID 109300420) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-2-morpholin-4-ylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-2-morpholin-4-ylpyrimidine-4-carboxamide
PubChem CID109300420
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC NameN-(3,5-dimethylphenyl)-2-morpholin-4-ylpyrimidine-4-carboxamide
SMILESCc1cc(C)cc(NC(=O)c2ccnc(N3CCOCC3)n2)c1
InChIInChI=1S/C17H20N4O2/c1-12-9-13(2)11-14(10-12)19-16(22)15-3-4-18-17(20-15)21-5-7-23-8-6-21/h3-4,9-11H,5-8H2,1-2H3,(H,19,22)
InChIKeyBJXPIAJJJICKTG-UHFFFAOYSA-N
XLogP2.18
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.18
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
N-(4-tert-butylphenyl)-2-morpholin-4-ylpyrimidine-4-carboxamide
CID 109300433
N-(3,5-dimethylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine-4-carboxamide
CID 109310548
methyl 4-[(2-morpholin-4-ylpyrimidine-4-carbonyl)amino]benzoate
CID 109300468
N-(1,3-benzodioxol-5-yl)-2-morpholin-4-ylpyrimidine-4-carboxamide
CID 109300487
N-(4-methylphenyl)-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 109297550
2-morpholin-4-yl-N-(4-phenoxyphenyl)pyrimidine-4-carboxamide
CID 109300479
N-(3,5-dimethylphenyl)-2-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide
CID 109301473
N-(1-methylbenzimidazol-2-yl)-2-morpholin-4-ylpyrimidine-4-carboxamide
CID 139022042
methyl 4-chloro-3-[(2-morpholin-4-ylpyrimidine-4-carbonyl)amino]benzoate
CID 109300469
N-(2,5-diethylphenyl)-2-morpholin-4-ylpyrimidine-4-carboxamide
CID 136554886
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-morpholin-4-ylpyrimidine-4-carboxamide
CID 109300470

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-2-morpholin-4-ylpyrimidine-4-carboxamide?
The IUPAC name of N-(3,5-dimethylphenyl)-2-morpholin-4-ylpyrimidine-4-carboxamide (CID 109300420) is N-(3,5-dimethylphenyl)-2-morpholin-4-ylpyrimidine-4-carboxamide.
What is the SMILES notation for N-(3,5-dimethylphenyl)-2-morpholin-4-ylpyrimidine-4-carboxamide?
The canonical SMILES for N-(3,5-dimethylphenyl)-2-morpholin-4-ylpyrimidine-4-carboxamide is Cc1cc(C)cc(NC(=O)c2ccnc(N3CCOCC3)n2)c1.
What is the InChIKey of N-(3,5-dimethylphenyl)-2-morpholin-4-ylpyrimidine-4-carboxamide?
The InChIKey is BJXPIAJJJICKTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2/c1-12-9-13(2)11-14(10-12)19-16(22)15-3-4-18-17(20-15)21-5-7-23-8-6-21/h3-4,9-11H,5-8H2,1-2H3,(H,19,22).
What are the key properties of N-(3,5-dimethylphenyl)-2-morpholin-4-ylpyrimidine-4-carboxamide?
N-(3,5-dimethylphenyl)-2-morpholin-4-ylpyrimidine-4-carboxamide has a molecular weight of 312.37 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylphenyl)-2-morpholin-4-ylpyrimidine-4-carboxamide is sourced from PubChem (CID 109300420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).