6-(3-methoxyanilino)-2-methyl-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide

C18H22N4O3 — CID 109365935

IUPAC6-(3-methoxyanilino)-2-methyl-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide
SMILESCOc1cccc(Nc2cc(C(=O)NCC3CCCO3)nc(C)n2)c1
InChIInChI=1S/C18H22N4O3/c1-12-20-16(18(23)19-11-15-7-4-8-25-15)10-17(21-12)22-13-5-3-6-14(9-13)24-2/h3,5-6,9-10,15H,4,7-8,11H2,1-2H3,(H,19,23)(H,20,21,22)
InChIKeyWHEVORVUEVGQQD-UHFFFAOYSA-N
MW342.40 g/mol
LogP2.45
Rot. Bonds6

About 6-(3-methoxyanilino)-2-methyl-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide

6-(3-methoxyanilino)-2-methyl-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide (PubChem CID 109365935) has the molecular formula C18H22N4O3 and a molecular weight of 342.40 g/mol. Its IUPAC name is 6-(3-methoxyanilino)-2-methyl-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(3-methoxyanilino)-2-methyl-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide
PubChem CID109365935
Molecular FormulaC18H22N4O3
Molecular Weight342.40 g/mol
Exact Mass342.17
IUPAC Name6-(3-methoxyanilino)-2-methyl-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide
SMILESCOc1cccc(Nc2cc(C(=O)NCC3CCCO3)nc(C)n2)c1
InChIInChI=1S/C18H22N4O3/c1-12-20-16(18(23)19-11-15-7-4-8-25-15)10-17(21-12)22-13-5-3-6-14(9-13)24-2/h3,5-6,9-10,15H,4,7-8,11H2,1-2H3,(H,19,23)(H,20,21,22)
InChIKeyWHEVORVUEVGQQD-UHFFFAOYSA-N
XLogP2.45
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-(3-chloro-4-methylanilino)-2-methyl-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide
CID 109365928
6-[(4-methoxyphenyl)methylamino]-2-methyl-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide
CID 109365850
6-(2-methoxy-5-methylanilino)-2-methyl-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide
CID 109365939
6-[2,6-di(propan-2-yl)anilino]-2-methyl-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide
CID 109365965
2-methyl-6-[(5-methyl-1,2-oxazol-3-yl)amino]-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide
CID 109365986
N-cyclohexyl-6-(3-methoxyanilino)-2-methylpyrimidine-4-carboxamide
CID 109364037
6-(2-methoxyethylamino)-2-methyl-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide
CID 109364622
N-[(4-methoxyphenyl)methyl]-2-methyl-6-(oxolan-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109365694
N-(4-methoxyphenyl)-2-methyl-6-(oxolan-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109365780
2-methyl-N-(oxolan-2-ylmethyl)-6-(propan-2-ylamino)pyrimidine-4-carboxamide
CID 109360386
3-methoxy-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 669434
6-(3-methoxyanilino)-N-(3-methoxyphenyl)-2-methylpyrimidine-4-carboxamide
CID 112850479

Frequently Asked Questions

What is the IUPAC name of 6-(3-methoxyanilino)-2-methyl-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide?
The IUPAC name of 6-(3-methoxyanilino)-2-methyl-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide (CID 109365935) is 6-(3-methoxyanilino)-2-methyl-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 6-(3-methoxyanilino)-2-methyl-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide?
The canonical SMILES for 6-(3-methoxyanilino)-2-methyl-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide is COc1cccc(Nc2cc(C(=O)NCC3CCCO3)nc(C)n2)c1.
What is the InChIKey of 6-(3-methoxyanilino)-2-methyl-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide?
The InChIKey is WHEVORVUEVGQQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3/c1-12-20-16(18(23)19-11-15-7-4-8-25-15)10-17(21-12)22-13-5-3-6-14(9-13)24-2/h3,5-6,9-10,15H,4,7-8,11H2,1-2H3,(H,19,23)(H,20,21,22).
What are the key properties of 6-(3-methoxyanilino)-2-methyl-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide?
6-(3-methoxyanilino)-2-methyl-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide has a molecular weight of 342.40 g/mol, XLogP of 2.45, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methoxyanilino)-2-methyl-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109365935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).