6-chloro-5-propyl-N-(4,4,4-trifluorobutyl)pyrimidin-4-amine

C11H15ClF3N3 — CID 113327992

IUPAC6-chloro-5-propyl-N-(4,4,4-trifluorobutyl)pyrimidin-4-amine
SMILESCCCc1c(Cl)ncnc1NCCCC(F)(F)F
InChIInChI=1S/C11H15ClF3N3/c1-2-4-8-9(12)17-7-18-10(8)16-6-3-5-11(13,14)15/h7H,2-6H2,1H3,(H,16,17,18)
InChIKeyMTUHUIQWRFPYPE-UHFFFAOYSA-N
MW281.71 g/mol
LogP3.84
Rot. Bonds6

About 6-chloro-5-propyl-N-(4,4,4-trifluorobutyl)pyrimidin-4-amine

6-chloro-5-propyl-N-(4,4,4-trifluorobutyl)pyrimidin-4-amine (PubChem CID 113327992) has the molecular formula C11H15ClF3N3 and a molecular weight of 281.71 g/mol. Its IUPAC name is 6-chloro-5-propyl-N-(4,4,4-trifluorobutyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-5-propyl-N-(4,4,4-trifluorobutyl)pyrimidin-4-amine
PubChem CID113327992
Molecular FormulaC11H15ClF3N3
Molecular Weight281.71 g/mol
Exact Mass281.09
IUPAC Name6-chloro-5-propyl-N-(4,4,4-trifluorobutyl)pyrimidin-4-amine
SMILESCCCc1c(Cl)ncnc1NCCCC(F)(F)F
InChIInChI=1S/C11H15ClF3N3/c1-2-4-8-9(12)17-7-18-10(8)16-6-3-5-11(13,14)15/h7H,2-6H2,1H3,(H,16,17,18)
InChIKeyMTUHUIQWRFPYPE-UHFFFAOYSA-N
XLogP3.84
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.71
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-chloro-5-methyl-N-(4,4,4-trifluorobutyl)pyrimidin-4-amine
CID 115521565
6-chloro-N-(3-methylsulfanylpropyl)-5-propylpyrimidin-4-amine
CID 63959272
2-[(6-chloro-5-propylpyrimidin-4-yl)amino]ethanol
CID 63736464
N-(6-chloro-5-propylpyrimidin-4-yl)-N',N'-dimethylethane-1,2-diamine
CID 63734589
N-(2-butoxyethyl)-6-chloro-5-propylpyrimidin-4-amine
CID 63729398
6-chloro-N-(3-phenoxypropyl)-5-propylpyrimidin-4-amine
CID 63729687
6-chloro-N-(2-ethoxyethyl)-5-propylpyrimidin-4-amine
CID 63730290
N-ethyl-5-propyl-6-(4,4,4-trifluorobutoxy)pyrimidin-4-amine
CID 82794971
5-chloro-N-(4,4,4-trifluorobutyl)pyrimidin-4-amine
CID 105369555
N-(4-tert-butylphenyl)-6-chloro-5-propylpyrimidin-4-amine
CID 63733908
6-chloro-N-(2-prop-2-enylsulfanylethyl)-5-propylpyrimidin-4-amine
CID 106431886
6-N-ethyl-5-propyl-4-N-[2-(trifluoromethylsulfanyl)ethyl]pyrimidine-4,6-diamine
CID 106434090

Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-propyl-N-(4,4,4-trifluorobutyl)pyrimidin-4-amine?
The IUPAC name of 6-chloro-5-propyl-N-(4,4,4-trifluorobutyl)pyrimidin-4-amine (CID 113327992) is 6-chloro-5-propyl-N-(4,4,4-trifluorobutyl)pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-5-propyl-N-(4,4,4-trifluorobutyl)pyrimidin-4-amine?
The canonical SMILES for 6-chloro-5-propyl-N-(4,4,4-trifluorobutyl)pyrimidin-4-amine is CCCc1c(Cl)ncnc1NCCCC(F)(F)F.
What is the InChIKey of 6-chloro-5-propyl-N-(4,4,4-trifluorobutyl)pyrimidin-4-amine?
The InChIKey is MTUHUIQWRFPYPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClF3N3/c1-2-4-8-9(12)17-7-18-10(8)16-6-3-5-11(13,14)15/h7H,2-6H2,1H3,(H,16,17,18).
What are the key properties of 6-chloro-5-propyl-N-(4,4,4-trifluorobutyl)pyrimidin-4-amine?
6-chloro-5-propyl-N-(4,4,4-trifluorobutyl)pyrimidin-4-amine has a molecular weight of 281.71 g/mol, XLogP of 3.84, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-propyl-N-(4,4,4-trifluorobutyl)pyrimidin-4-amine is sourced from PubChem (CID 113327992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).