3-methyl-1-[5-methyl-4-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyrazol-1-yl]butan-2-ol

C15H21F3N6O — CID 69083051

IUPAC3-methyl-1-[5-methyl-4-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyrazol-1-yl]butan-2-ol
SMILESCNc1nc(Nc2cnn(CC(O)C(C)C)c2C)ncc1C(F)(F)F
InChIInChI=1S/C15H21F3N6O/c1-8(2)12(25)7-24-9(3)11(6-21-24)22-14-20-5-10(15(16,17)18)13(19-4)23-14/h5-6,8,12,25H,7H2,1-4H3,(H2,19,20,22,23)
InChIKeyHVFKQKAMMMVYCV-UHFFFAOYSA-N
MW358.37 g/mol
LogP2.80
Rot. Bonds6

About 3-methyl-1-[5-methyl-4-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyrazol-1-yl]butan-2-ol

3-methyl-1-[5-methyl-4-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyrazol-1-yl]butan-2-ol (PubChem CID 69083051) has the molecular formula C15H21F3N6O and a molecular weight of 358.37 g/mol. Its IUPAC name is 3-methyl-1-[5-methyl-4-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyrazol-1-yl]butan-2-ol.

Molecular Properties

Compound Name3-methyl-1-[5-methyl-4-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyrazol-1-yl]butan-2-ol
PubChem CID69083051
Molecular FormulaC15H21F3N6O
Molecular Weight358.37 g/mol
Exact Mass358.17
IUPAC Name3-methyl-1-[5-methyl-4-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyrazol-1-yl]butan-2-ol
SMILESCNc1nc(Nc2cnn(CC(O)C(C)C)c2C)ncc1C(F)(F)F
InChIInChI=1S/C15H21F3N6O/c1-8(2)12(25)7-24-9(3)11(6-21-24)22-14-20-5-10(15(16,17)18)13(19-4)23-14/h5-6,8,12,25H,7H2,1-4H3,(H2,19,20,22,23)
InChIKeyHVFKQKAMMMVYCV-UHFFFAOYSA-N
XLogP2.80
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 ≤ 52.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[5-methyl-4-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyrazol-1-yl]butan-2-ol?
The IUPAC name of 3-methyl-1-[5-methyl-4-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyrazol-1-yl]butan-2-ol (CID 69083051) is 3-methyl-1-[5-methyl-4-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyrazol-1-yl]butan-2-ol.
What is the SMILES notation for 3-methyl-1-[5-methyl-4-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyrazol-1-yl]butan-2-ol?
The canonical SMILES for 3-methyl-1-[5-methyl-4-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyrazol-1-yl]butan-2-ol is CNc1nc(Nc2cnn(CC(O)C(C)C)c2C)ncc1C(F)(F)F.
What is the InChIKey of 3-methyl-1-[5-methyl-4-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyrazol-1-yl]butan-2-ol?
The InChIKey is HVFKQKAMMMVYCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3N6O/c1-8(2)12(25)7-24-9(3)11(6-21-24)22-14-20-5-10(15(16,17)18)13(19-4)23-14/h5-6,8,12,25H,7H2,1-4H3,(H2,19,20,22,23).
What are the key properties of 3-methyl-1-[5-methyl-4-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyrazol-1-yl]butan-2-ol?
3-methyl-1-[5-methyl-4-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyrazol-1-yl]butan-2-ol has a molecular weight of 358.37 g/mol, XLogP of 2.80, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[5-methyl-4-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyrazol-1-yl]butan-2-ol is sourced from PubChem (CID 69083051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).