N-butan-2-yl-2-methyl-6-[2-(trifluoromethyl)anilino]pyrimidine-4-carboxamide

C17H19F3N4O — CID 109362634

IUPACN-butan-2-yl-2-methyl-6-[2-(trifluoromethyl)anilino]pyrimidine-4-carboxamide
SMILESCCC(C)NC(=O)c1cc(Nc2ccccc2C(F)(F)F)nc(C)n1
InChIInChI=1S/C17H19F3N4O/c1-4-10(2)21-16(25)14-9-15(23-11(3)22-14)24-13-8-6-5-7-12(13)17(18,19)20/h5-10H,4H2,1-3H3,(H,21,25)(H,22,23,24)
InChIKeyUIVLSMIKYAYHQI-UHFFFAOYSA-N
MW352.36 g/mol
LogP4.08
Rot. Bonds5

About N-butan-2-yl-2-methyl-6-[2-(trifluoromethyl)anilino]pyrimidine-4-carboxamide

N-butan-2-yl-2-methyl-6-[2-(trifluoromethyl)anilino]pyrimidine-4-carboxamide (PubChem CID 109362634) has the molecular formula C17H19F3N4O and a molecular weight of 352.36 g/mol. Its IUPAC name is N-butan-2-yl-2-methyl-6-[2-(trifluoromethyl)anilino]pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-2-methyl-6-[2-(trifluoromethyl)anilino]pyrimidine-4-carboxamide
PubChem CID109362634
Molecular FormulaC17H19F3N4O
Molecular Weight352.36 g/mol
Exact Mass352.15
IUPAC NameN-butan-2-yl-2-methyl-6-[2-(trifluoromethyl)anilino]pyrimidine-4-carboxamide
SMILESCCC(C)NC(=O)c1cc(Nc2ccccc2C(F)(F)F)nc(C)n1
InChIInChI=1S/C17H19F3N4O/c1-4-10(2)21-16(25)14-9-15(23-11(3)22-14)24-13-8-6-5-7-12(13)17(18,19)20/h5-10H,4H2,1-3H3,(H,21,25)(H,22,23,24)
InChIKeyUIVLSMIKYAYHQI-UHFFFAOYSA-N
XLogP4.08
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.36
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-butan-2-yl-6-(2,6-diethylanilino)-2-methylpyrimidine-4-carboxamide
CID 109362604
N-butan-2-yl-2-methyl-6-(2,3,4-trifluoroanilino)pyrimidine-4-carboxamide
CID 109362686
2-methyl-N-(3-methylphenyl)-6-[2-(trifluoromethyl)anilino]pyrimidine-4-carboxamide
CID 112848302
N-(2-cyanophenyl)-2-methyl-6-[2-(trifluoromethyl)anilino]pyrimidine-4-carboxamide
CID 112850765
(4-methylpiperazin-1-yl)-[2-methyl-6-[2-(trifluoromethyl)anilino]pyrimidin-4-yl]methanone
CID 109367119
2-methyl-N-(oxolan-2-ylmethyl)-6-[2-(trifluoromethyl)anilino]pyrimidine-4-carboxamide
CID 109365945
6-(2-fluoroanilino)-2-methyl-N-propan-2-ylpyrimidine-4-carboxamide
CID 109360683
2-N-butan-2-yl-6-methyl-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 112909173
N-butan-2-yl-2-(2-tert-butylanilino)-6-methylpyrimidine-4-carboxamide
CID 109321474
N-butan-2-yl-6-(5-chloro-2-methoxyanilino)-2-methylpyrimidine-4-carboxamide
CID 109362620
6-(2-ethoxyanilino)-2-methyl-N-propan-2-ylpyrimidine-4-carboxamide
CID 109360701
N-(2-bromophenyl)-6-(butan-2-ylamino)-2-methylpyrimidine-4-carboxamide
CID 109362467

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-methyl-6-[2-(trifluoromethyl)anilino]pyrimidine-4-carboxamide?
The IUPAC name of N-butan-2-yl-2-methyl-6-[2-(trifluoromethyl)anilino]pyrimidine-4-carboxamide (CID 109362634) is N-butan-2-yl-2-methyl-6-[2-(trifluoromethyl)anilino]pyrimidine-4-carboxamide.
What is the SMILES notation for N-butan-2-yl-2-methyl-6-[2-(trifluoromethyl)anilino]pyrimidine-4-carboxamide?
The canonical SMILES for N-butan-2-yl-2-methyl-6-[2-(trifluoromethyl)anilino]pyrimidine-4-carboxamide is CCC(C)NC(=O)c1cc(Nc2ccccc2C(F)(F)F)nc(C)n1.
What is the InChIKey of N-butan-2-yl-2-methyl-6-[2-(trifluoromethyl)anilino]pyrimidine-4-carboxamide?
The InChIKey is UIVLSMIKYAYHQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F3N4O/c1-4-10(2)21-16(25)14-9-15(23-11(3)22-14)24-13-8-6-5-7-12(13)17(18,19)20/h5-10H,4H2,1-3H3,(H,21,25)(H,22,23,24).
What are the key properties of N-butan-2-yl-2-methyl-6-[2-(trifluoromethyl)anilino]pyrimidine-4-carboxamide?
N-butan-2-yl-2-methyl-6-[2-(trifluoromethyl)anilino]pyrimidine-4-carboxamide has a molecular weight of 352.36 g/mol, XLogP of 4.08, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-methyl-6-[2-(trifluoromethyl)anilino]pyrimidine-4-carboxamide is sourced from PubChem (CID 109362634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).