N-(2-methoxyphenyl)-2-methyl-6-morpholin-4-ylpyrimidine-4-carboxamide

C17H20N4O3 — CID 109365446

IUPACN-(2-methoxyphenyl)-2-methyl-6-morpholin-4-ylpyrimidine-4-carboxamide
SMILESCOc1ccccc1NC(=O)c1cc(N2CCOCC2)nc(C)n1
InChIInChI=1S/C17H20N4O3/c1-12-18-14(11-16(19-12)21-7-9-24-10-8-21)17(22)20-13-5-3-4-6-15(13)23-2/h3-6,11H,7-10H2,1-2H3,(H,20,22)
InChIKeyPKWHSUPKZKXLRQ-UHFFFAOYSA-N
MW328.37 g/mol
LogP1.88
Rot. Bonds4

About N-(2-methoxyphenyl)-2-methyl-6-morpholin-4-ylpyrimidine-4-carboxamide

N-(2-methoxyphenyl)-2-methyl-6-morpholin-4-ylpyrimidine-4-carboxamide (PubChem CID 109365446) has the molecular formula C17H20N4O3 and a molecular weight of 328.37 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-2-methyl-6-morpholin-4-ylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-2-methyl-6-morpholin-4-ylpyrimidine-4-carboxamide
PubChem CID109365446
Molecular FormulaC17H20N4O3
Molecular Weight328.37 g/mol
Exact Mass328.15
IUPAC NameN-(2-methoxyphenyl)-2-methyl-6-morpholin-4-ylpyrimidine-4-carboxamide
SMILESCOc1ccccc1NC(=O)c1cc(N2CCOCC2)nc(C)n1
InChIInChI=1S/C17H20N4O3/c1-12-18-14(11-16(19-12)21-7-9-24-10-8-21)17(22)20-13-5-3-4-6-15(13)23-2/h3-6,11H,7-10H2,1-2H3,(H,20,22)
InChIKeyPKWHSUPKZKXLRQ-UHFFFAOYSA-N
XLogP1.88
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-[(2-methyl-6-morpholin-4-ylpyrimidine-4-carbonyl)amino]benzoate
CID 109365464
2-methyl-6-morpholin-4-yl-N-(2-morpholin-4-ylphenyl)pyrimidine-4-carboxamide
CID 109365473
N-(2-bromophenyl)-2-methyl-6-morpholin-4-ylpyrimidine-4-carboxamide
CID 109365478
N-(2-methoxyphenyl)-6-morpholin-4-ylpyridine-2-carboxamide
CID 84573867
N-[(2-methoxyphenyl)methyl]-2-methyl-6-morpholin-4-ylpyrimidine-4-carboxamide
CID 109365354
2-methyl-6-morpholin-4-yl-N-phenylpyrimidine-4-carboxamide
CID 109365407
N-(2,3-dichlorophenyl)-2-methyl-6-morpholin-4-ylpyrimidine-4-carboxamide
CID 109365497
N-(2-methoxyphenyl)-2-methyl-6-morpholin-4-ylpyrimidin-4-amine
CID 112869929
N-(2,6-dimethylphenyl)-2-methyl-6-morpholin-4-ylpyrimidine-4-carboxamide
CID 109365418
N-(2,4-dichlorophenyl)-2-methyl-6-morpholin-4-ylpyrimidine-4-carboxamide
CID 109365493
6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(2-methoxy-5-methylphenyl)-2-methylpyrimidine-4-carboxamide
CID 109372889
2-methyl-6-morpholin-4-yl-N-propan-2-ylpyrimidine-4-carboxamide
CID 109360582

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-2-methyl-6-morpholin-4-ylpyrimidine-4-carboxamide?
The IUPAC name of N-(2-methoxyphenyl)-2-methyl-6-morpholin-4-ylpyrimidine-4-carboxamide (CID 109365446) is N-(2-methoxyphenyl)-2-methyl-6-morpholin-4-ylpyrimidine-4-carboxamide.
What is the SMILES notation for N-(2-methoxyphenyl)-2-methyl-6-morpholin-4-ylpyrimidine-4-carboxamide?
The canonical SMILES for N-(2-methoxyphenyl)-2-methyl-6-morpholin-4-ylpyrimidine-4-carboxamide is COc1ccccc1NC(=O)c1cc(N2CCOCC2)nc(C)n1.
What is the InChIKey of N-(2-methoxyphenyl)-2-methyl-6-morpholin-4-ylpyrimidine-4-carboxamide?
The InChIKey is PKWHSUPKZKXLRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O3/c1-12-18-14(11-16(19-12)21-7-9-24-10-8-21)17(22)20-13-5-3-4-6-15(13)23-2/h3-6,11H,7-10H2,1-2H3,(H,20,22).
What are the key properties of N-(2-methoxyphenyl)-2-methyl-6-morpholin-4-ylpyrimidine-4-carboxamide?
N-(2-methoxyphenyl)-2-methyl-6-morpholin-4-ylpyrimidine-4-carboxamide has a molecular weight of 328.37 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-2-methyl-6-morpholin-4-ylpyrimidine-4-carboxamide is sourced from PubChem (CID 109365446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).