N-(3-methoxyphenyl)-2-methyl-6-(3-methylbutylamino)pyrimidine-4-carboxamide

C18H24N4O2 — CID 112846528

IUPACN-(3-methoxyphenyl)-2-methyl-6-(3-methylbutylamino)pyrimidine-4-carboxamide
SMILESCOc1cccc(NC(=O)c2cc(NCCC(C)C)nc(C)n2)c1
InChIInChI=1S/C18H24N4O2/c1-12(2)8-9-19-17-11-16(20-13(3)21-17)18(23)22-14-6-5-7-15(10-14)24-4/h5-7,10-12H,8-9H2,1-4H3,(H,22,23)(H,19,20,21)
InChIKeyZCFGHIVNYHPBSY-UHFFFAOYSA-N
MW328.42 g/mol
LogP3.50
Rot. Bonds7

About N-(3-methoxyphenyl)-2-methyl-6-(3-methylbutylamino)pyrimidine-4-carboxamide

N-(3-methoxyphenyl)-2-methyl-6-(3-methylbutylamino)pyrimidine-4-carboxamide (PubChem CID 112846528) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-2-methyl-6-(3-methylbutylamino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-2-methyl-6-(3-methylbutylamino)pyrimidine-4-carboxamide
PubChem CID112846528
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC NameN-(3-methoxyphenyl)-2-methyl-6-(3-methylbutylamino)pyrimidine-4-carboxamide
SMILESCOc1cccc(NC(=O)c2cc(NCCC(C)C)nc(C)n2)c1
InChIInChI=1S/C18H24N4O2/c1-12(2)8-9-19-17-11-16(20-13(3)21-17)18(23)22-14-6-5-7-15(10-14)24-4/h5-7,10-12H,8-9H2,1-4H3,(H,22,23)(H,19,20,21)
InChIKeyZCFGHIVNYHPBSY-UHFFFAOYSA-N
XLogP3.50
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-acetamidophenyl)-2-methyl-6-(3-methylbutylamino)pyrimidine-4-carboxamide
CID 112846543
N-(3-methoxyphenyl)-2-methyl-6-(pentylamino)pyrimidine-4-carboxamide
CID 112846747
6-(3-methoxyanilino)-N-(3-methoxyphenyl)-2-methylpyrimidine-4-carboxamide
CID 112850479
6-(4-methoxyanilino)-N-(3-methoxyphenyl)-2-methylpyrimidine-4-carboxamide
CID 112850511
2-methyl-6-(3-methylbutylamino)-N-(2-phenoxyphenyl)pyrimidine-4-carboxamide
CID 112846570
N-(3-methoxyphenyl)-2-methyl-6-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109370787
6-(3-methoxypropylamino)-2-methyl-N-(3-methylphenyl)pyrimidine-4-carboxamide
CID 109365060
6-(2-methoxyethylamino)-2-methyl-N-(3-methylphenyl)pyrimidine-4-carboxamide
CID 109364699
N-(3-fluorophenyl)-6-[2-(4-methoxyphenyl)ethylamino]-2-methylpyrimidine-4-carboxamide
CID 109372199
N-(3-bromophenyl)-6-(3-methoxypropylamino)-2-methylpyrimidine-4-carboxamide
CID 109365130
methyl 3-[[6-(3-methoxypropylamino)-2-methylpyrimidine-4-carbonyl]amino]benzoate
CID 109365116
methyl 3-[[6-(butylamino)-2-methylpyrimidine-4-carbonyl]amino]benzoate
CID 109361689

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-2-methyl-6-(3-methylbutylamino)pyrimidine-4-carboxamide?
The IUPAC name of N-(3-methoxyphenyl)-2-methyl-6-(3-methylbutylamino)pyrimidine-4-carboxamide (CID 112846528) is N-(3-methoxyphenyl)-2-methyl-6-(3-methylbutylamino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(3-methoxyphenyl)-2-methyl-6-(3-methylbutylamino)pyrimidine-4-carboxamide?
The canonical SMILES for N-(3-methoxyphenyl)-2-methyl-6-(3-methylbutylamino)pyrimidine-4-carboxamide is COc1cccc(NC(=O)c2cc(NCCC(C)C)nc(C)n2)c1.
What is the InChIKey of N-(3-methoxyphenyl)-2-methyl-6-(3-methylbutylamino)pyrimidine-4-carboxamide?
The InChIKey is ZCFGHIVNYHPBSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-12(2)8-9-19-17-11-16(20-13(3)21-17)18(23)22-14-6-5-7-15(10-14)24-4/h5-7,10-12H,8-9H2,1-4H3,(H,22,23)(H,19,20,21).
What are the key properties of N-(3-methoxyphenyl)-2-methyl-6-(3-methylbutylamino)pyrimidine-4-carboxamide?
N-(3-methoxyphenyl)-2-methyl-6-(3-methylbutylamino)pyrimidine-4-carboxamide has a molecular weight of 328.42 g/mol, XLogP of 3.50, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-2-methyl-6-(3-methylbutylamino)pyrimidine-4-carboxamide is sourced from PubChem (CID 112846528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).