6-(2-methoxy-5-methylanilino)-2-methyl-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide

C19H24N4O3 — CID 109365939

IUPAC6-(2-methoxy-5-methylanilino)-2-methyl-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide
SMILESCOc1ccc(C)cc1Nc1cc(C(=O)NCC2CCCO2)nc(C)n1
InChIInChI=1S/C19H24N4O3/c1-12-6-7-17(25-3)15(9-12)23-18-10-16(21-13(2)22-18)19(24)20-11-14-5-4-8-26-14/h6-7,9-10,14H,4-5,8,11H2,1-3H3,(H,20,24)(H,21,22,23)
InChIKeyWDQDGQYSJHDGEZ-UHFFFAOYSA-N
MW356.43 g/mol
LogP2.75
Rot. Bonds6

About 6-(2-methoxy-5-methylanilino)-2-methyl-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide

6-(2-methoxy-5-methylanilino)-2-methyl-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide (PubChem CID 109365939) has the molecular formula C19H24N4O3 and a molecular weight of 356.43 g/mol. Its IUPAC name is 6-(2-methoxy-5-methylanilino)-2-methyl-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(2-methoxy-5-methylanilino)-2-methyl-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide
PubChem CID109365939
Molecular FormulaC19H24N4O3
Molecular Weight356.43 g/mol
Exact Mass356.18
IUPAC Name6-(2-methoxy-5-methylanilino)-2-methyl-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide
SMILESCOc1ccc(C)cc1Nc1cc(C(=O)NCC2CCCO2)nc(C)n1
InChIInChI=1S/C19H24N4O3/c1-12-6-7-17(25-3)15(9-12)23-18-10-16(21-13(2)22-18)19(24)20-11-14-5-4-8-26-14/h6-7,9-10,14H,4-5,8,11H2,1-3H3,(H,20,24)(H,21,22,23)
InChIKeyWDQDGQYSJHDGEZ-UHFFFAOYSA-N
XLogP2.75
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-(3-methoxyanilino)-2-methyl-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide
CID 109365935
2-methyl-6-[(5-methyl-1,2-oxazol-3-yl)amino]-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide
CID 109365986
2-methyl-N-(oxolan-2-ylmethyl)-6-[2-(trifluoromethyl)anilino]pyrimidine-4-carboxamide
CID 109365945
6-(2-methoxyethylamino)-2-methyl-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide
CID 109364622
6-(2-methoxyanilino)-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide
CID 109343986
6-[(4-methoxyphenyl)methylamino]-2-methyl-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide
CID 109365850
2-methyl-N-(oxolan-2-ylmethyl)-6-(propan-2-ylamino)pyrimidine-4-carboxamide
CID 109360386
6-(3-chloro-4-methylanilino)-2-methyl-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide
CID 109365928
N-(2-methoxy-5-methylphenyl)-6-(oxolan-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109343818
6-(2-methoxy-5-methylanilino)-2-methyl-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109368680
6-(4-chloro-2-methoxy-5-methylanilino)-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide
CID 109344039
6-[2,6-di(propan-2-yl)anilino]-2-methyl-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide
CID 109365965

Frequently Asked Questions

What is the IUPAC name of 6-(2-methoxy-5-methylanilino)-2-methyl-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide?
The IUPAC name of 6-(2-methoxy-5-methylanilino)-2-methyl-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide (CID 109365939) is 6-(2-methoxy-5-methylanilino)-2-methyl-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 6-(2-methoxy-5-methylanilino)-2-methyl-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide?
The canonical SMILES for 6-(2-methoxy-5-methylanilino)-2-methyl-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide is COc1ccc(C)cc1Nc1cc(C(=O)NCC2CCCO2)nc(C)n1.
What is the InChIKey of 6-(2-methoxy-5-methylanilino)-2-methyl-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide?
The InChIKey is WDQDGQYSJHDGEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O3/c1-12-6-7-17(25-3)15(9-12)23-18-10-16(21-13(2)22-18)19(24)20-11-14-5-4-8-26-14/h6-7,9-10,14H,4-5,8,11H2,1-3H3,(H,20,24)(H,21,22,23).
What are the key properties of 6-(2-methoxy-5-methylanilino)-2-methyl-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide?
6-(2-methoxy-5-methylanilino)-2-methyl-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide has a molecular weight of 356.43 g/mol, XLogP of 2.75, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methoxy-5-methylanilino)-2-methyl-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109365939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).