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

C13H21F3N4O — CID 106772532

IUPAC4-[[6-(propylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]pentan-1-ol
SMILESCCCNc1cc(NC(C)CCCO)nc(C(F)(F)F)n1
InChIInChI=1S/C13H21F3N4O/c1-3-6-17-10-8-11(18-9(2)5-4-7-21)20-12(19-10)13(14,15)16/h8-9,21H,3-7H2,1-2H3,(H2,17,18,19,20)
InChIKeyZRIQMFZAOXEYGX-UHFFFAOYSA-N
MW306.33 g/mol
LogP2.89
Rot. Bonds8

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

4-[[6-(propylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]pentan-1-ol (PubChem CID 106772532) has the molecular formula C13H21F3N4O and a molecular weight of 306.33 g/mol. Its IUPAC name is 4-[[6-(propylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]pentan-1-ol.

Molecular Properties

Compound Name4-[[6-(propylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]pentan-1-ol
PubChem CID106772532
Molecular FormulaC13H21F3N4O
Molecular Weight306.33 g/mol
Exact Mass306.17
IUPAC Name4-[[6-(propylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]pentan-1-ol
SMILESCCCNc1cc(NC(C)CCCO)nc(C(F)(F)F)n1
InChIInChI=1S/C13H21F3N4O/c1-3-6-17-10-8-11(18-9(2)5-4-7-21)20-12(19-10)13(14,15)16/h8-9,21H,3-7H2,1-2H3,(H2,17,18,19,20)
InChIKeyZRIQMFZAOXEYGX-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

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Related Compounds

4-N-pentan-2-yl-6-N-propyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106770408
4-[[2-methyl-6-(propylamino)pyrimidin-4-yl]amino]pentan-1-ol
CID 80852528
4-[[6-(propylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]butan-1-ol
CID 106846982
4-[[2-methylsulfanyl-6-(propylamino)pyrimidin-4-yl]amino]pentan-1-ol
CID 80852755
2-tert-butyl-4-N-hexan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80967541
2-tert-butyl-4-N-pentan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80955654
4-N-(3-methylpentan-2-yl)-6-N-propyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106771174
3-[[2-methyl-6-(propylamino)pyrimidin-4-yl]amino]butan-1-ol
CID 83180781
2-[[6-(propylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]propanamide
CID 106770807
4-[[6-(ethylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]butan-1-ol
CID 106846872
1-[[6-(propylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]pentan-2-ol
CID 106773146
4-N-butan-2-yl-2-tert-butyl-6-N-propylpyrimidine-4,6-diamine
CID 80956340

Frequently Asked Questions

What is the IUPAC name of 4-[[6-(propylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]pentan-1-ol?
The IUPAC name of 4-[[6-(propylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]pentan-1-ol (CID 106772532) is 4-[[6-(propylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]pentan-1-ol.
What is the SMILES notation for 4-[[6-(propylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]pentan-1-ol?
The canonical SMILES for 4-[[6-(propylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]pentan-1-ol is CCCNc1cc(NC(C)CCCO)nc(C(F)(F)F)n1.
What is the InChIKey of 4-[[6-(propylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]pentan-1-ol?
The InChIKey is ZRIQMFZAOXEYGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21F3N4O/c1-3-6-17-10-8-11(18-9(2)5-4-7-21)20-12(19-10)13(14,15)16/h8-9,21H,3-7H2,1-2H3,(H2,17,18,19,20).
What are the key properties of 4-[[6-(propylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]pentan-1-ol?
4-[[6-(propylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]pentan-1-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 4-[[6-(propylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]pentan-1-ol is sourced from PubChem (CID 106772532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).