1-[[6-(propylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]pentan-2-ol

C13H21F3N4O — CID 106773146

IUPAC1-[[6-(propylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]pentan-2-ol
SMILESCCCNc1cc(NCC(O)CCC)nc(C(F)(F)F)n1
InChIInChI=1S/C13H21F3N4O/c1-3-5-9(21)8-18-11-7-10(17-6-4-2)19-12(20-11)13(14,15)16/h7,9,21H,3-6,8H2,1-2H3,(H2,17,18,19,20)
InChIKeyKBCQWHSJKHQDES-UHFFFAOYSA-N
MW306.33 g/mol
LogP2.89
Rot. Bonds8

About 1-[[6-(propylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]pentan-2-ol

1-[[6-(propylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]pentan-2-ol (PubChem CID 106773146) has the molecular formula C13H21F3N4O and a molecular weight of 306.33 g/mol. Its IUPAC name is 1-[[6-(propylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]pentan-2-ol.

Molecular Properties

Compound Name1-[[6-(propylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]pentan-2-ol
PubChem CID106773146
Molecular FormulaC13H21F3N4O
Molecular Weight306.33 g/mol
Exact Mass306.17
IUPAC Name1-[[6-(propylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]pentan-2-ol
SMILESCCCNc1cc(NCC(O)CCC)nc(C(F)(F)F)n1
InChIInChI=1S/C13H21F3N4O/c1-3-5-9(21)8-18-11-7-10(17-6-4-2)19-12(20-11)13(14,15)16/h7,9,21H,3-6,8H2,1-2H3,(H2,17,18,19,20)
InChIKeyKBCQWHSJKHQDES-UHFFFAOYSA-N
XLogP2.89
TPSA70.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
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 1-[[6-(propylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]pentan-2-ol with MolForge

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Related Compounds

1-[[6-(propylamino)-4-(trifluoromethyl)-2-pyridinyl]amino]pentan-2-ol
CID 102719358
4-N-pentan-2-yl-6-N-propyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106770408
4-N-(2-methylsulfanylpropyl)-6-N-propyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106772999
4-[[6-(propylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]butan-1-ol
CID 106846982
4-[[6-(propylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]pentan-1-ol
CID 106772532
3-[[6-(methylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]propane-1,2-diol
CID 106772397
1-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]pentan-2-ol
CID 102716204
4-N-(2-methylsulfanylethyl)-6-N-propyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106772093
methyl 3-[[6-(propylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]propanoate
CID 106771014
4-N-(3-methylpentan-2-yl)-6-N-propyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106771174
N-methyl-2-[[6-(propylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]acetamide
CID 106770681
methyl 2-[[6-(propylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]acetate
CID 106770479

Frequently Asked Questions

What is the IUPAC name of 1-[[6-(propylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]pentan-2-ol?
The IUPAC name of 1-[[6-(propylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]pentan-2-ol (CID 106773146) is 1-[[6-(propylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]pentan-2-ol.
What is the SMILES notation for 1-[[6-(propylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]pentan-2-ol?
The canonical SMILES for 1-[[6-(propylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]pentan-2-ol is CCCNc1cc(NCC(O)CCC)nc(C(F)(F)F)n1.
What is the InChIKey of 1-[[6-(propylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]pentan-2-ol?
The InChIKey is KBCQWHSJKHQDES-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21F3N4O/c1-3-5-9(21)8-18-11-7-10(17-6-4-2)19-12(20-11)13(14,15)16/h7,9,21H,3-6,8H2,1-2H3,(H2,17,18,19,20).
What are the key properties of 1-[[6-(propylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]pentan-2-ol?
1-[[6-(propylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]pentan-2-ol has a molecular weight of 306.33 g/mol, XLogP of 2.89, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[6-(propylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]pentan-2-ol is sourced from PubChem (CID 106773146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).