1-[4-[[4-(ethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-3-methylpyrazol-1-yl]-2-methylpropan-2-ol

C15H21F3N6O — CID 69083944

IUPAC1-[4-[[4-(ethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-3-methylpyrazol-1-yl]-2-methylpropan-2-ol
SMILESCCNc1nc(Nc2cn(CC(C)(C)O)nc2C)ncc1C(F)(F)F
InChIInChI=1S/C15H21F3N6O/c1-5-19-12-10(15(16,17)18)6-20-13(22-12)21-11-7-24(23-9(11)2)8-14(3,4)25/h6-7,25H,5,8H2,1-4H3,(H2,19,20,21,22)
InChIKeyDQSKWTJRYAQOEN-UHFFFAOYSA-N
MW358.37 g/mol
LogP2.95
Rot. Bonds6

About 1-[4-[[4-(ethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-3-methylpyrazol-1-yl]-2-methylpropan-2-ol

1-[4-[[4-(ethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-3-methylpyrazol-1-yl]-2-methylpropan-2-ol (PubChem CID 69083944) has the molecular formula C15H21F3N6O and a molecular weight of 358.37 g/mol. Its IUPAC name is 1-[4-[[4-(ethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-3-methylpyrazol-1-yl]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[4-[[4-(ethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-3-methylpyrazol-1-yl]-2-methylpropan-2-ol
PubChem CID69083944
Molecular FormulaC15H21F3N6O
Molecular Weight358.37 g/mol
Exact Mass358.17
IUPAC Name1-[4-[[4-(ethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-3-methylpyrazol-1-yl]-2-methylpropan-2-ol
SMILESCCNc1nc(Nc2cn(CC(C)(C)O)nc2C)ncc1C(F)(F)F
InChIInChI=1S/C15H21F3N6O/c1-5-19-12-10(15(16,17)18)6-20-13(22-12)21-11-7-24(23-9(11)2)8-14(3,4)25/h6-7,25H,5,8H2,1-4H3,(H2,19,20,21,22)
InChIKeyDQSKWTJRYAQOEN-UHFFFAOYSA-N
XLogP2.95
TPSA87.89 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.37
LogP ≤ 52.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 1-[4-[[4-(ethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-3-methylpyrazol-1-yl]-2-methylpropan-2-ol with MolForge

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Related Compounds

Dnl-201
CID 69093374
2-Methyl-2-[5-methyl-4-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyrazol-1-yl]propanenitrile
CID 69092949
3-[3-Methyl-4-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyrazol-1-yl]propanenitrile
CID 67814206
2-Methyl-1-[5-methyl-4-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyrazol-1-yl]propan-2-ol
CID 67817055
3-[5-Methyl-4-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyrazol-1-yl]propanenitrile
CID 67818467
2-N-(1-ethyl-3-methylpyrazol-4-yl)-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 67988921
2-methyl-2-[3-methyl-4-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyrazol-1-yl]-N-propan-2-ylpropanamide
CID 69081779
2-N-[1-(2-methoxyethyl)-5-methylpyrazol-4-yl]-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 69081998
N-ethyl-2-methyl-2-[3-methyl-4-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyrazol-1-yl]propanamide
CID 69083959
2-N-[1-(2-methoxyethyl)-3-methylpyrazol-4-yl]-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 69085771
4-N-methyl-2-N-(5-methyl-1-propan-2-ylpyrazol-4-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 69093006
4-N-methyl-2-N-[5-methyl-1-[1-(oxetan-3-yl)piperidin-4-yl]pyrazol-4-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 69093113

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[4-(ethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-3-methylpyrazol-1-yl]-2-methylpropan-2-ol?
The IUPAC name of 1-[4-[[4-(ethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-3-methylpyrazol-1-yl]-2-methylpropan-2-ol (CID 69083944) is 1-[4-[[4-(ethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-3-methylpyrazol-1-yl]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[4-[[4-(ethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-3-methylpyrazol-1-yl]-2-methylpropan-2-ol?
The canonical SMILES for 1-[4-[[4-(ethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-3-methylpyrazol-1-yl]-2-methylpropan-2-ol is CCNc1nc(Nc2cn(CC(C)(C)O)nc2C)ncc1C(F)(F)F.
What is the InChIKey of 1-[4-[[4-(ethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-3-methylpyrazol-1-yl]-2-methylpropan-2-ol?
The InChIKey is DQSKWTJRYAQOEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3N6O/c1-5-19-12-10(15(16,17)18)6-20-13(22-12)21-11-7-24(23-9(11)2)8-14(3,4)25/h6-7,25H,5,8H2,1-4H3,(H2,19,20,21,22).
What are the key properties of 1-[4-[[4-(ethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-3-methylpyrazol-1-yl]-2-methylpropan-2-ol?
1-[4-[[4-(ethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-3-methylpyrazol-1-yl]-2-methylpropan-2-ol has a molecular weight of 358.37 g/mol, XLogP of 2.95, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[4-(ethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-3-methylpyrazol-1-yl]-2-methylpropan-2-ol is sourced from PubChem (CID 69083944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).