4-[[6-amino-4-(trifluoromethyl)-2-pyridinyl]amino]pentan-1-ol

C11H16F3N3O — CID 102718936

IUPAC4-[[6-amino-4-(trifluoromethyl)-2-pyridinyl]amino]pentan-1-ol
SMILESCC(CCCO)Nc1cc(C(F)(F)F)cc(N)n1
InChIInChI=1S/C11H16F3N3O/c1-7(3-2-4-18)16-10-6-8(11(12,13)14)5-9(15)17-10/h5-7,18H,2-4H2,1H3,(H3,15,16,17)
InChIKeyJVMFRPNVYFAWNM-UHFFFAOYSA-N
MW263.26 g/mol
LogP2.26
Rot. Bonds5

About 4-[[6-amino-4-(trifluoromethyl)-2-pyridinyl]amino]pentan-1-ol

4-[[6-amino-4-(trifluoromethyl)-2-pyridinyl]amino]pentan-1-ol (PubChem CID 102718936) has the molecular formula C11H16F3N3O and a molecular weight of 263.26 g/mol. Its IUPAC name is 4-[[6-amino-4-(trifluoromethyl)-2-pyridinyl]amino]pentan-1-ol.

Molecular Properties

Compound Name4-[[6-amino-4-(trifluoromethyl)-2-pyridinyl]amino]pentan-1-ol
PubChem CID102718936
Molecular FormulaC11H16F3N3O
Molecular Weight263.26 g/mol
Exact Mass263.12
IUPAC Name4-[[6-amino-4-(trifluoromethyl)-2-pyridinyl]amino]pentan-1-ol
SMILESCC(CCCO)Nc1cc(C(F)(F)F)cc(N)n1
InChIInChI=1S/C11H16F3N3O/c1-7(3-2-4-18)16-10-6-8(11(12,13)14)5-9(15)17-10/h5-7,18H,2-4H2,1H3,(H3,15,16,17)
InChIKeyJVMFRPNVYFAWNM-UHFFFAOYSA-N
XLogP2.26
TPSA71.17 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.26
LogP ≤ 52.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

6-N-propan-2-yl-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102717244
2-[[6-amino-4-(trifluoromethyl)-2-pyridinyl]amino]-N-propan-2-ylpropanamide
CID 102719169
6-N-(1-methoxy-3-methylbutan-2-yl)-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102718721
6-N-[1-(dimethylamino)-3-methylbutan-2-yl]-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102717913
4-[(6-aminopyrimidin-4-yl)amino]pentan-1-ol
CID 80852295
6-hydrazinyl-N-(5-methylhexan-2-yl)-4-(trifluoromethyl)pyridin-2-amine
CID 102720760
6-N-(1-methylsulfanylbutan-2-yl)-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102719346
4-[[6-(propylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]pentan-1-ol
CID 106772532
4-[(4,6-dimethyl-2-pyridinyl)amino]pentan-1-ol
CID 115976030
3-[[6-amino-4-(trifluoromethyl)-2-pyridinyl]amino]propane-1,2-diol
CID 102718825
6-N-[1-(5-methylfuran-2-yl)ethyl]-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102717909
3-[[6-hydrazinyl-4-(trifluoromethyl)-2-pyridinyl]amino]-4-methylpentan-1-ol
CID 106358437

Frequently Asked Questions

What is the IUPAC name of 4-[[6-amino-4-(trifluoromethyl)-2-pyridinyl]amino]pentan-1-ol?
The IUPAC name of 4-[[6-amino-4-(trifluoromethyl)-2-pyridinyl]amino]pentan-1-ol (CID 102718936) is 4-[[6-amino-4-(trifluoromethyl)-2-pyridinyl]amino]pentan-1-ol.
What is the SMILES notation for 4-[[6-amino-4-(trifluoromethyl)-2-pyridinyl]amino]pentan-1-ol?
The canonical SMILES for 4-[[6-amino-4-(trifluoromethyl)-2-pyridinyl]amino]pentan-1-ol is CC(CCCO)Nc1cc(C(F)(F)F)cc(N)n1.
What is the InChIKey of 4-[[6-amino-4-(trifluoromethyl)-2-pyridinyl]amino]pentan-1-ol?
The InChIKey is JVMFRPNVYFAWNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3O/c1-7(3-2-4-18)16-10-6-8(11(12,13)14)5-9(15)17-10/h5-7,18H,2-4H2,1H3,(H3,15,16,17).
What are the key properties of 4-[[6-amino-4-(trifluoromethyl)-2-pyridinyl]amino]pentan-1-ol?
4-[[6-amino-4-(trifluoromethyl)-2-pyridinyl]amino]pentan-1-ol has a molecular weight of 263.26 g/mol, XLogP of 2.26, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[6-amino-4-(trifluoromethyl)-2-pyridinyl]amino]pentan-1-ol is sourced from PubChem (CID 102718936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).