2-methyl-N-(oxolan-2-ylmethyl)-6-[2-(trifluoromethyl)anilino]pyrimidine-4-carboxamide

C18H19F3N4O2 — CID 109365945

IUPAC2-methyl-N-(oxolan-2-ylmethyl)-6-[2-(trifluoromethyl)anilino]pyrimidine-4-carboxamide
SMILESCc1nc(Nc2ccccc2C(F)(F)F)cc(C(=O)NCC2CCCO2)n1
InChIInChI=1S/C18H19F3N4O2/c1-11-23-15(17(26)22-10-12-5-4-8-27-12)9-16(24-11)25-14-7-3-2-6-13(14)18(19,20)21/h2-3,6-7,9,12H,4-5,8,10H2,1H3,(H,22,26)(H,23,24,25)
InChIKeyGKHSBMJSCNYCHV-UHFFFAOYSA-N
MW380.37 g/mol
LogP3.46
Rot. Bonds5

About 2-methyl-N-(oxolan-2-ylmethyl)-6-[2-(trifluoromethyl)anilino]pyrimidine-4-carboxamide

2-methyl-N-(oxolan-2-ylmethyl)-6-[2-(trifluoromethyl)anilino]pyrimidine-4-carboxamide (PubChem CID 109365945) has the molecular formula C18H19F3N4O2 and a molecular weight of 380.37 g/mol. Its IUPAC name is 2-methyl-N-(oxolan-2-ylmethyl)-6-[2-(trifluoromethyl)anilino]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-methyl-N-(oxolan-2-ylmethyl)-6-[2-(trifluoromethyl)anilino]pyrimidine-4-carboxamide
PubChem CID109365945
Molecular FormulaC18H19F3N4O2
Molecular Weight380.37 g/mol
Exact Mass380.15
IUPAC Name2-methyl-N-(oxolan-2-ylmethyl)-6-[2-(trifluoromethyl)anilino]pyrimidine-4-carboxamide
SMILESCc1nc(Nc2ccccc2C(F)(F)F)cc(C(=O)NCC2CCCO2)n1
InChIInChI=1S/C18H19F3N4O2/c1-11-23-15(17(26)22-10-12-5-4-8-27-12)9-16(24-11)25-14-7-3-2-6-13(14)18(19,20)21/h2-3,6-7,9,12H,4-5,8,10H2,1H3,(H,22,26)(H,23,24,25)
InChIKeyGKHSBMJSCNYCHV-UHFFFAOYSA-N
XLogP3.46
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.37
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-N-(oxolan-2-ylmethyl)-6-(propan-2-ylamino)pyrimidine-4-carboxamide
CID 109360386
2-methyl-6-[(5-methyl-1,2-oxazol-3-yl)amino]-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide
CID 109365986
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
6-(3-chloro-4-methylanilino)-2-methyl-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide
CID 109365928
6-(3-methoxyanilino)-2-methyl-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide
CID 109365935
1-N-(oxolan-2-ylmethyl)-4-N-[2-(trifluoromethyl)phenyl]benzene-1,4-dicarboxamide
CID 109045666
6-(2-fluoroanilino)-N-(oxolan-2-ylmethyl)-2-phenylpyrimidine-4-carboxamide
CID 112853587
2,6-dimethyl-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide
CID 110849464
6-(cyclopropylamino)-2-methyl-N-[2-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
CID 109360904
N-butan-2-yl-2-methyl-6-[2-(trifluoromethyl)anilino]pyrimidine-4-carboxamide
CID 109362634
6-(butylamino)-2-methyl-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide
CID 109361556

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(oxolan-2-ylmethyl)-6-[2-(trifluoromethyl)anilino]pyrimidine-4-carboxamide?
The IUPAC name of 2-methyl-N-(oxolan-2-ylmethyl)-6-[2-(trifluoromethyl)anilino]pyrimidine-4-carboxamide (CID 109365945) is 2-methyl-N-(oxolan-2-ylmethyl)-6-[2-(trifluoromethyl)anilino]pyrimidine-4-carboxamide.
What is the SMILES notation for 2-methyl-N-(oxolan-2-ylmethyl)-6-[2-(trifluoromethyl)anilino]pyrimidine-4-carboxamide?
The canonical SMILES for 2-methyl-N-(oxolan-2-ylmethyl)-6-[2-(trifluoromethyl)anilino]pyrimidine-4-carboxamide is Cc1nc(Nc2ccccc2C(F)(F)F)cc(C(=O)NCC2CCCO2)n1.
What is the InChIKey of 2-methyl-N-(oxolan-2-ylmethyl)-6-[2-(trifluoromethyl)anilino]pyrimidine-4-carboxamide?
The InChIKey is GKHSBMJSCNYCHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N4O2/c1-11-23-15(17(26)22-10-12-5-4-8-27-12)9-16(24-11)25-14-7-3-2-6-13(14)18(19,20)21/h2-3,6-7,9,12H,4-5,8,10H2,1H3,(H,22,26)(H,23,24,25).
What are the key properties of 2-methyl-N-(oxolan-2-ylmethyl)-6-[2-(trifluoromethyl)anilino]pyrimidine-4-carboxamide?
2-methyl-N-(oxolan-2-ylmethyl)-6-[2-(trifluoromethyl)anilino]pyrimidine-4-carboxamide has a molecular weight of 380.37 g/mol, XLogP of 3.46, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(oxolan-2-ylmethyl)-6-[2-(trifluoromethyl)anilino]pyrimidine-4-carboxamide is sourced from PubChem (CID 109365945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).