1-[2-(ethylamino)-6-(trifluoromethyl)pyrimidin-4-yl]-3-methylpyrrolidin-3-ol

C12H17F3N4O — CID 103358897

IUPAC1-[2-(ethylamino)-6-(trifluoromethyl)pyrimidin-4-yl]-3-methylpyrrolidin-3-ol
SMILESCCNc1nc(N2CCC(C)(O)C2)cc(C(F)(F)F)n1
InChIInChI=1S/C12H17F3N4O/c1-3-16-10-17-8(12(13,14)15)6-9(18-10)19-5-4-11(2,20)7-19/h6,20H,3-5,7H2,1-2H3,(H,16,17,18)
InChIKeyZMHWHCWFCRPJQI-UHFFFAOYSA-N
MW290.29 g/mol
LogP1.89
Rot. Bonds3

About 1-[2-(ethylamino)-6-(trifluoromethyl)pyrimidin-4-yl]-3-methylpyrrolidin-3-ol

1-[2-(ethylamino)-6-(trifluoromethyl)pyrimidin-4-yl]-3-methylpyrrolidin-3-ol (PubChem CID 103358897) has the molecular formula C12H17F3N4O and a molecular weight of 290.29 g/mol. Its IUPAC name is 1-[2-(ethylamino)-6-(trifluoromethyl)pyrimidin-4-yl]-3-methylpyrrolidin-3-ol.

Molecular Properties

Compound Name1-[2-(ethylamino)-6-(trifluoromethyl)pyrimidin-4-yl]-3-methylpyrrolidin-3-ol
PubChem CID103358897
Molecular FormulaC12H17F3N4O
Molecular Weight290.29 g/mol
Exact Mass290.14
IUPAC Name1-[2-(ethylamino)-6-(trifluoromethyl)pyrimidin-4-yl]-3-methylpyrrolidin-3-ol
SMILESCCNc1nc(N2CCC(C)(O)C2)cc(C(F)(F)F)n1
InChIInChI=1S/C12H17F3N4O/c1-3-16-10-17-8(12(13,14)15)6-9(18-10)19-5-4-11(2,20)7-19/h6,20H,3-5,7H2,1-2H3,(H,16,17,18)
InChIKeyZMHWHCWFCRPJQI-UHFFFAOYSA-N
XLogP1.89
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.29
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-({[2-(1-Pyrrolidinyl)-6-(trifluoromethyl)-4-pyrimidinyl]amino}methyl)-4-azepanol
CID 56907036
N,N,6-trimethyl-2-pyrrolidin-3-ylpyrimidin-4-amine
CID 66510133
4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-6-(trifluoromethyl)pyrimidin-2-amine
CID 90655031
4-(difluoromethyl)-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine
CID 118720436
(3R*,4R*)-3,4-dimethyl-1-[6-methyl-2-(1-piperidinyl)-4-pyrimidinyl]-3-pyrrolidinol
CID 72881995
3-{[2-(Dimethylamino)-6-methylpyrimidin-4-yl]amino}-2,2-dimethylpropan-1-ol
CID 50951453
N~4~-{[1-(3-methoxypropyl)pyrrolidin-3-yl]methyl}-6-methylpyrimidine-2,4-diamine
CID 72858382
(4S)-4-[[[2-pyrrolidin-1-yl-6-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]azepan-4-ol
CID 95721267
1-[2-Methyl-6-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-3-ol
CID 119103479
(3S,4S)-3-cyclopropyl-4-methyl-1-[4-methyl-6-(methylamino)pyrimidin-2-yl]pyrrolidin-3-ol
CID 164635351
(3R)-1-(2-cyclopropyl-6-methylpyrimidin-4-yl)-3-[(dimethylamino)methyl]pyrrolidin-3-ol
CID 164640409
(4R)-4-[[[2-(dimethylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]-1-methylpyrrolidin-2-one
CID 171359039

Frequently Asked Questions

What is the IUPAC name of 1-[2-(ethylamino)-6-(trifluoromethyl)pyrimidin-4-yl]-3-methylpyrrolidin-3-ol?
The IUPAC name of 1-[2-(ethylamino)-6-(trifluoromethyl)pyrimidin-4-yl]-3-methylpyrrolidin-3-ol (CID 103358897) is 1-[2-(ethylamino)-6-(trifluoromethyl)pyrimidin-4-yl]-3-methylpyrrolidin-3-ol.
What is the SMILES notation for 1-[2-(ethylamino)-6-(trifluoromethyl)pyrimidin-4-yl]-3-methylpyrrolidin-3-ol?
The canonical SMILES for 1-[2-(ethylamino)-6-(trifluoromethyl)pyrimidin-4-yl]-3-methylpyrrolidin-3-ol is CCNc1nc(N2CCC(C)(O)C2)cc(C(F)(F)F)n1.
What is the InChIKey of 1-[2-(ethylamino)-6-(trifluoromethyl)pyrimidin-4-yl]-3-methylpyrrolidin-3-ol?
The InChIKey is ZMHWHCWFCRPJQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N4O/c1-3-16-10-17-8(12(13,14)15)6-9(18-10)19-5-4-11(2,20)7-19/h6,20H,3-5,7H2,1-2H3,(H,16,17,18).
What are the key properties of 1-[2-(ethylamino)-6-(trifluoromethyl)pyrimidin-4-yl]-3-methylpyrrolidin-3-ol?
1-[2-(ethylamino)-6-(trifluoromethyl)pyrimidin-4-yl]-3-methylpyrrolidin-3-ol has a molecular weight of 290.29 g/mol, XLogP of 1.89, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(ethylamino)-6-(trifluoromethyl)pyrimidin-4-yl]-3-methylpyrrolidin-3-ol is sourced from PubChem (CID 103358897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).