3-methyl-3-[[2-(propylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]butan-2-ol

C13H21F3N4O — CID 114565961

IUPAC3-methyl-3-[[2-(propylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]butan-2-ol
SMILESCCCNc1nc(NC(C)(C)C(C)O)cc(C(F)(F)F)n1
InChIInChI=1S/C13H21F3N4O/c1-5-6-17-11-18-9(13(14,15)16)7-10(19-11)20-12(3,4)8(2)21/h7-8,21H,5-6H2,1-4H3,(H2,17,18,19,20)
InChIKeyLLYRFJFOKCPYNP-UHFFFAOYSA-N
MW306.33 g/mol
LogP2.89
Rot. Bonds6

About 3-methyl-3-[[2-(propylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]butan-2-ol

3-methyl-3-[[2-(propylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]butan-2-ol (PubChem CID 114565961) has the molecular formula C13H21F3N4O and a molecular weight of 306.33 g/mol. Its IUPAC name is 3-methyl-3-[[2-(propylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]butan-2-ol.

Molecular Properties

Compound Name3-methyl-3-[[2-(propylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]butan-2-ol
PubChem CID114565961
Molecular FormulaC13H21F3N4O
Molecular Weight306.33 g/mol
Exact Mass306.17
IUPAC Name3-methyl-3-[[2-(propylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]butan-2-ol
SMILESCCCNc1nc(NC(C)(C)C(C)O)cc(C(F)(F)F)n1
InChIInChI=1S/C13H21F3N4O/c1-5-6-17-11-18-9(13(14,15)16)7-10(19-11)20-12(3,4)8(2)21/h7-8,21H,5-6H2,1-4H3,(H2,17,18,19,20)
InChIKeyLLYRFJFOKCPYNP-UHFFFAOYSA-N
XLogP2.89
TPSA70.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.33
LogP ≤ 52.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 3-methyl-3-[[2-(propylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]butan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[[2-(ethylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]-3-methylbutan-2-ol
CID 114565964
3-[[2-(propylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]butan-1-ol
CID 114565668
3-[[2-(propylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]butanamide
CID 114565928
1-[methyl-[2-(propylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]propan-2-ol
CID 114564867
4-N-(2,2-dimethylcyclopropyl)-2-N-propyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114564776
4-N-(4-methylsulfanylbutyl)-2-N-propyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114565870
4-N-(3-methylsulfinylpropyl)-2-N-propyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114565866
4-N-(oxan-4-yl)-2-N-propyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114564199
2-N-propyl-4-N-thiophen-3-yl-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114565395
4-N-morpholin-4-yl-2-N-propyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114565646
2-N-propyl-4-N-(thiolan-3-ylmethyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 107298718
4-(2-methylbutan-2-yloxy)-N-propyl-6-(trifluoromethyl)pyrimidin-2-amine
CID 114566168

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-[[2-(propylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]butan-2-ol?
The IUPAC name of 3-methyl-3-[[2-(propylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]butan-2-ol (CID 114565961) is 3-methyl-3-[[2-(propylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]butan-2-ol.
What is the SMILES notation for 3-methyl-3-[[2-(propylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]butan-2-ol?
The canonical SMILES for 3-methyl-3-[[2-(propylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]butan-2-ol is CCCNc1nc(NC(C)(C)C(C)O)cc(C(F)(F)F)n1.
What is the InChIKey of 3-methyl-3-[[2-(propylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]butan-2-ol?
The InChIKey is LLYRFJFOKCPYNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21F3N4O/c1-5-6-17-11-18-9(13(14,15)16)7-10(19-11)20-12(3,4)8(2)21/h7-8,21H,5-6H2,1-4H3,(H2,17,18,19,20).
What are the key properties of 3-methyl-3-[[2-(propylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]butan-2-ol?
3-methyl-3-[[2-(propylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]butan-2-ol has a molecular weight of 306.33 g/mol, XLogP of 2.89, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-[[2-(propylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]butan-2-ol is sourced from PubChem (CID 114565961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).