2-methylpropan-2-amine;N-[1-[3-(2,2,2-trifluoroethoxy)phenyl]ethyl]pyrimidine-4-carboxamide

C19H25F3N4O2 — CID 162622088

IUPAC2-methylpropan-2-amine;N-[1-[3-(2,2,2-trifluoroethoxy)phenyl]ethyl]pyrimidine-4-carboxamide
SMILESCC(C)(C)N.CC(NC(=O)c1ccncn1)c1cccc(OCC(F)(F)F)c1
InChIInChI=1S/C15H14F3N3O2.C4H11N/c1-10(21-14(22)13-5-6-19-9-20-13)11-3-2-4-12(7-11)23-8-15(16,17)18;1-4(2,3)5/h2-7,9-10H,8H2,1H3,(H,21,22);5H2,1-3H3
InChIKeySEPUFKBUXVTDOK-UHFFFAOYSA-N
MW398.43 g/mol
LogP3.65
Rot. Bonds5

About 2-methylpropan-2-amine;N-[1-[3-(2,2,2-trifluoroethoxy)phenyl]ethyl]pyrimidine-4-carboxamide

2-methylpropan-2-amine;N-[1-[3-(2,2,2-trifluoroethoxy)phenyl]ethyl]pyrimidine-4-carboxamide (PubChem CID 162622088) has the molecular formula C19H25F3N4O2 and a molecular weight of 398.43 g/mol. Its IUPAC name is 2-methylpropan-2-amine;N-[1-[3-(2,2,2-trifluoroethoxy)phenyl]ethyl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-methylpropan-2-amine;N-[1-[3-(2,2,2-trifluoroethoxy)phenyl]ethyl]pyrimidine-4-carboxamide
PubChem CID162622088
Molecular FormulaC19H25F3N4O2
Molecular Weight398.43 g/mol
Exact Mass398.19
IUPAC Name2-methylpropan-2-amine;N-[1-[3-(2,2,2-trifluoroethoxy)phenyl]ethyl]pyrimidine-4-carboxamide
SMILESCC(C)(C)N.CC(NC(=O)c1ccncn1)c1cccc(OCC(F)(F)F)c1
InChIInChI=1S/C15H14F3N3O2.C4H11N/c1-10(21-14(22)13-5-6-19-9-20-13)11-3-2-4-12(7-11)23-8-15(16,17)18;1-4(2,3)5/h2-7,9-10H,8H2,1H3,(H,21,22);5H2,1-3H3
InChIKeySEPUFKBUXVTDOK-UHFFFAOYSA-N
XLogP3.65
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.43
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(ethylamino)-N-[1-[3-(2,2,2-trifluoroethoxy)phenyl]ethyl]pyrimidine-4-carboxamide
CID 151094917
6-methyl-N-[1-[3-(2,2,2-trifluoroethoxy)phenyl]ethyl]pyrazine-2-carboxamide
CID 174811246
2-(3-methyl-2-oxobutyl)-N-[1-[3-(2,2,2-trifluoroethoxy)phenyl]ethyl]pyrimidine-4-carboxamide
CID 159341282
N-[1-[3-(trifluoromethylsulfanyl)phenyl]ethyl]pyrimidine-4-carboxamide
CID 159606767
N-[1-[4-(trifluoromethoxy)phenyl]ethyl]pyrimidine-4-carboxamide
CID 161315130
(3R)-3-hydroxy-4-methyl-N-[(1S)-1-[3-(2,2,2-trifluoroethoxy)phenyl]ethyl]-3-(trifluoromethyl)pentanamide
CID 139414577
2-methyl-6-(2-methylpropanoylamino)-N-[1-[3-(2,2,2-trifluoroethoxy)phenyl]ethyl]pyridine-4-carboxamide
CID 67508998
2,2,2-trifluoroethyl N-[(1R)-1-(3-methoxyphenyl)ethyl]carbamate
CID 81373961
butan-2-amine;N-[1-[3-(trifluoromethoxy)phenyl]ethyl]pyridine-4-carboxamide
CID 171931063
N-[4-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrimidine-4-carboxamide
CID 153405710
N-(1-pyridin-4-ylethyl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 86925855
3-fluoro-N-[1-(3-methoxyphenyl)ethyl]pyridine-4-carboxamide
CID 115645750

Frequently Asked Questions

What is the IUPAC name of 2-methylpropan-2-amine;N-[1-[3-(2,2,2-trifluoroethoxy)phenyl]ethyl]pyrimidine-4-carboxamide?
The IUPAC name of 2-methylpropan-2-amine;N-[1-[3-(2,2,2-trifluoroethoxy)phenyl]ethyl]pyrimidine-4-carboxamide (CID 162622088) is 2-methylpropan-2-amine;N-[1-[3-(2,2,2-trifluoroethoxy)phenyl]ethyl]pyrimidine-4-carboxamide.
What is the SMILES notation for 2-methylpropan-2-amine;N-[1-[3-(2,2,2-trifluoroethoxy)phenyl]ethyl]pyrimidine-4-carboxamide?
The canonical SMILES for 2-methylpropan-2-amine;N-[1-[3-(2,2,2-trifluoroethoxy)phenyl]ethyl]pyrimidine-4-carboxamide is CC(C)(C)N.CC(NC(=O)c1ccncn1)c1cccc(OCC(F)(F)F)c1.
What is the InChIKey of 2-methylpropan-2-amine;N-[1-[3-(2,2,2-trifluoroethoxy)phenyl]ethyl]pyrimidine-4-carboxamide?
The InChIKey is SEPUFKBUXVTDOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3N3O2.C4H11N/c1-10(21-14(22)13-5-6-19-9-20-13)11-3-2-4-12(7-11)23-8-15(16,17)18;1-4(2,3)5/h2-7,9-10H,8H2,1H3,(H,21,22);5H2,1-3H3.
What are the key properties of 2-methylpropan-2-amine;N-[1-[3-(2,2,2-trifluoroethoxy)phenyl]ethyl]pyrimidine-4-carboxamide?
2-methylpropan-2-amine;N-[1-[3-(2,2,2-trifluoroethoxy)phenyl]ethyl]pyrimidine-4-carboxamide has a molecular weight of 398.43 g/mol, XLogP of 3.65, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropan-2-amine;N-[1-[3-(2,2,2-trifluoroethoxy)phenyl]ethyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 162622088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).