2-chloro-N-(5-methoxypentyl)-6-(trifluoromethyl)pyrimidin-4-amine

C11H15ClF3N3O — CID 114131009

IUPAC2-chloro-N-(5-methoxypentyl)-6-(trifluoromethyl)pyrimidin-4-amine
SMILESCOCCCCCNc1cc(C(F)(F)F)nc(Cl)n1
InChIInChI=1S/C11H15ClF3N3O/c1-19-6-4-2-3-5-16-9-7-8(11(13,14)15)17-10(12)18-9/h7H,2-6H2,1H3,(H,16,17,18)
InChIKeyBNCASESDABWRSR-UHFFFAOYSA-N
MW297.71 g/mol
LogP3.38
Rot. Bonds7

About 2-chloro-N-(5-methoxypentyl)-6-(trifluoromethyl)pyrimidin-4-amine

2-chloro-N-(5-methoxypentyl)-6-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 114131009) has the molecular formula C11H15ClF3N3O and a molecular weight of 297.71 g/mol. Its IUPAC name is 2-chloro-N-(5-methoxypentyl)-6-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-N-(5-methoxypentyl)-6-(trifluoromethyl)pyrimidin-4-amine
PubChem CID114131009
Molecular FormulaC11H15ClF3N3O
Molecular Weight297.71 g/mol
Exact Mass297.09
IUPAC Name2-chloro-N-(5-methoxypentyl)-6-(trifluoromethyl)pyrimidin-4-amine
SMILESCOCCCCCNc1cc(C(F)(F)F)nc(Cl)n1
InChIInChI=1S/C11H15ClF3N3O/c1-19-6-4-2-3-5-16-9-7-8(11(13,14)15)17-10(12)18-9/h7H,2-6H2,1H3,(H,16,17,18)
InChIKeyBNCASESDABWRSR-UHFFFAOYSA-N
XLogP3.38
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.71
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-(4-methoxybutyl)-6-(trifluoromethyl)pyrimidin-4-amine
CID 114562485
2-chloro-N-(4-propan-2-yloxybutyl)-6-(trifluoromethyl)pyrimidin-4-amine
CID 106013798
2-chloro-N-(4-methoxybutyl)-6-methylpyrimidin-4-amine
CID 62480987
3-[[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]amino]-N-(2-methoxyethyl)propanamide
CID 114562871
2-chloro-N-[2-(2-methylpropoxy)ethyl]-6-(trifluoromethyl)pyrimidin-4-amine
CID 114562937
N-[2-[[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]amino]ethyl]methanesulfonamide
CID 114562262
6-chloro-N-[4-(2-methoxyethoxy)butyl]-4-(trifluoromethyl)pyridin-2-amine
CID 102716177
6-chloro-2-N-(4-methoxybutyl)pyridine-2,4-diamine
CID 104923902
2-chloro-N-(3-methylpentan-3-yl)-6-(trifluoromethyl)pyrimidin-4-amine
CID 114174544
1-[[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]amino]butan-2-ol
CID 114562913
2-chloro-N-(cyclohexylmethyl)-6-(trifluoromethyl)pyrimidin-4-amine
CID 114562240
1-[[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]amino]-2-methylbutan-2-ol
CID 114562693

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(5-methoxypentyl)-6-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of 2-chloro-N-(5-methoxypentyl)-6-(trifluoromethyl)pyrimidin-4-amine (CID 114131009) is 2-chloro-N-(5-methoxypentyl)-6-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-N-(5-methoxypentyl)-6-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for 2-chloro-N-(5-methoxypentyl)-6-(trifluoromethyl)pyrimidin-4-amine is COCCCCCNc1cc(C(F)(F)F)nc(Cl)n1.
What is the InChIKey of 2-chloro-N-(5-methoxypentyl)-6-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is BNCASESDABWRSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClF3N3O/c1-19-6-4-2-3-5-16-9-7-8(11(13,14)15)17-10(12)18-9/h7H,2-6H2,1H3,(H,16,17,18).
What are the key properties of 2-chloro-N-(5-methoxypentyl)-6-(trifluoromethyl)pyrimidin-4-amine?
2-chloro-N-(5-methoxypentyl)-6-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 297.71 g/mol, XLogP of 3.38, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(5-methoxypentyl)-6-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 114131009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).