2-[butyl(methyl)amino]-N-(2-methoxyphenyl)-6-methylpyrimidine-4-carboxamide

C18H24N4O2 — CID 109333574

IUPAC2-[butyl(methyl)amino]-N-(2-methoxyphenyl)-6-methylpyrimidine-4-carboxamide
SMILESCCCCN(C)c1nc(C)cc(C(=O)Nc2ccccc2OC)n1
InChIInChI=1S/C18H24N4O2/c1-5-6-11-22(3)18-19-13(2)12-15(21-18)17(23)20-14-9-7-8-10-16(14)24-4/h7-10,12H,5-6,11H2,1-4H3,(H,20,23)
InChIKeyXHWQRDDERYQRMB-UHFFFAOYSA-N
MW328.42 g/mol
LogP3.28
Rot. Bonds7

About 2-[butyl(methyl)amino]-N-(2-methoxyphenyl)-6-methylpyrimidine-4-carboxamide

2-[butyl(methyl)amino]-N-(2-methoxyphenyl)-6-methylpyrimidine-4-carboxamide (PubChem CID 109333574) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is 2-[butyl(methyl)amino]-N-(2-methoxyphenyl)-6-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-[butyl(methyl)amino]-N-(2-methoxyphenyl)-6-methylpyrimidine-4-carboxamide
PubChem CID109333574
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name2-[butyl(methyl)amino]-N-(2-methoxyphenyl)-6-methylpyrimidine-4-carboxamide
SMILESCCCCN(C)c1nc(C)cc(C(=O)Nc2ccccc2OC)n1
InChIInChI=1S/C18H24N4O2/c1-5-6-11-22(3)18-19-13(2)12-15(21-18)17(23)20-14-9-7-8-10-16(14)24-4/h7-10,12H,5-6,11H2,1-4H3,(H,20,23)
InChIKeyXHWQRDDERYQRMB-UHFFFAOYSA-N
XLogP3.28
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[[2-[butyl(methyl)amino]-6-methylpyrimidine-4-carbonyl]amino]benzoate
CID 109333628
2-[butyl(methyl)amino]-6-methyl-N-phenylpyrimidine-4-carboxamide
CID 109333535
4-[butyl(methyl)amino]-N-(2-methoxyphenyl)pyridine-2-carboxamide
CID 109217852
2-[2-(dimethylamino)ethylamino]-N-(2-methoxyphenyl)-6-methylpyrimidine-4-carboxamide
CID 109324949
N-(3-bromophenyl)-2-[butyl(methyl)amino]-6-methylpyrimidine-4-carboxamide
CID 109333607
N-tert-butyl-2-[butyl(methyl)amino]-6-methylpyrimidine-4-carboxamide
CID 109332729
2-[butyl(methyl)amino]-6-methyl-N-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
CID 109333587
N-(2-methoxyphenyl)-2-[(2-methoxyphenyl)methylamino]-6-methylpyrimidine-4-carboxamide
CID 109329140
N-(2-ethoxyphenyl)-2-(N-ethylanilino)-6-methylpyrimidine-4-carboxamide
CID 109336367
6-[butyl(methyl)amino]-N-(2,4-dimethoxyphenyl)-2-methylpyrimidine-4-carboxamide
CID 112846968
N-butan-2-yl-2-[butyl(methyl)amino]-6-methylpyrimidine-4-carboxamide
CID 109321443
2-[butyl(methyl)amino]-6-methyl-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109327703

Frequently Asked Questions

What is the IUPAC name of 2-[butyl(methyl)amino]-N-(2-methoxyphenyl)-6-methylpyrimidine-4-carboxamide?
The IUPAC name of 2-[butyl(methyl)amino]-N-(2-methoxyphenyl)-6-methylpyrimidine-4-carboxamide (CID 109333574) is 2-[butyl(methyl)amino]-N-(2-methoxyphenyl)-6-methylpyrimidine-4-carboxamide.
What is the SMILES notation for 2-[butyl(methyl)amino]-N-(2-methoxyphenyl)-6-methylpyrimidine-4-carboxamide?
The canonical SMILES for 2-[butyl(methyl)amino]-N-(2-methoxyphenyl)-6-methylpyrimidine-4-carboxamide is CCCCN(C)c1nc(C)cc(C(=O)Nc2ccccc2OC)n1.
What is the InChIKey of 2-[butyl(methyl)amino]-N-(2-methoxyphenyl)-6-methylpyrimidine-4-carboxamide?
The InChIKey is XHWQRDDERYQRMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-5-6-11-22(3)18-19-13(2)12-15(21-18)17(23)20-14-9-7-8-10-16(14)24-4/h7-10,12H,5-6,11H2,1-4H3,(H,20,23).
What are the key properties of 2-[butyl(methyl)amino]-N-(2-methoxyphenyl)-6-methylpyrimidine-4-carboxamide?
2-[butyl(methyl)amino]-N-(2-methoxyphenyl)-6-methylpyrimidine-4-carboxamide has a molecular weight of 328.42 g/mol, XLogP of 3.28, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butyl(methyl)amino]-N-(2-methoxyphenyl)-6-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 109333574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).