5-chloro-6-(1-fluoroethyl)-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]pyrimidin-4-amine

C15H14ClF4N3O — CID 11079009

IUPAC5-chloro-6-(1-fluoroethyl)-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]pyrimidin-4-amine
SMILESCC(F)c1ncnc(NCCc2ccc(OC(F)(F)F)cc2)c1Cl
InChIInChI=1S/C15H14ClF4N3O/c1-9(17)13-12(16)14(23-8-22-13)21-7-6-10-2-4-11(5-3-10)24-15(18,19)20/h2-5,8-9H,6-7H2,1H3,(H,21,22,23)
InChIKeyGJEREQYJIQASAW-UHFFFAOYSA-N
MW363.74 g/mol
LogP4.71
Rot. Bonds6

About 5-chloro-6-(1-fluoroethyl)-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]pyrimidin-4-amine

5-chloro-6-(1-fluoroethyl)-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]pyrimidin-4-amine (PubChem CID 11079009) has the molecular formula C15H14ClF4N3O and a molecular weight of 363.74 g/mol. Its IUPAC name is 5-chloro-6-(1-fluoroethyl)-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]pyrimidin-4-amine.

Molecular Properties

Compound Name5-chloro-6-(1-fluoroethyl)-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]pyrimidin-4-amine
PubChem CID11079009
Molecular FormulaC15H14ClF4N3O
Molecular Weight363.74 g/mol
Exact Mass363.08
IUPAC Name5-chloro-6-(1-fluoroethyl)-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]pyrimidin-4-amine
SMILESCC(F)c1ncnc(NCCc2ccc(OC(F)(F)F)cc2)c1Cl
InChIInChI=1S/C15H14ClF4N3O/c1-9(17)13-12(16)14(23-8-22-13)21-7-6-10-2-4-11(5-3-10)24-15(18,19)20/h2-5,8-9H,6-7H2,1H3,(H,21,22,23)
InChIKeyGJEREQYJIQASAW-UHFFFAOYSA-N
XLogP4.71
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.74
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-6-(1-fluoroethyl)-N-[2-(4-methoxyphenyl)ethyl]pyrimidin-4-amine
CID 18982877
5-chloro-6-(1-chloroethyl)-N-[2-(4-methoxyphenyl)ethyl]pyrimidin-4-amine
CID 18982854
5-chloro-6-methyl-N-[2-[4-(4-methylphenoxy)phenyl]ethyl]pyrimidin-4-amine
CID 144611754
5-chloro-N-[2-[2-(4-chlorophenoxy)-4-pyridinyl]ethyl]-6-(difluoromethyl)pyrimidin-4-amine
CID 165361880
5,6-dichloro-N-[2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethyl]pyrimidin-4-amine
CID 90131355
5,6-dichloro-N-[2-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethyl]pyrimidin-4-amine
CID 90131350
5-chloro-6-(1-fluoroethyl)-N-(4-phenylbut-3-ynyl)pyrimidin-4-amine
CID 67890349
(2R)-2-(1,2,4-triazol-1-yl)-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]propanamide
CID 94029323
N-propan-2-yl-3-[4-(trifluoromethoxy)phenyl]propan-1-amine
CID 62528832
1-(3-methylbutyl)-4-(trifluoromethoxy)benzene
CID 129296221
5-chloro-6-methyl-N-[2-[2-[4-(trifluoromethoxy)phenyl]-1H-pyridazin-4-yl]ethyl]pyrimidin-4-amine
CID 154488563
6-chloro-N-[2-(4-propan-2-yloxyphenyl)ethyl]quinazolin-4-amine
CID 23632000

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-(1-fluoroethyl)-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]pyrimidin-4-amine?
The IUPAC name of 5-chloro-6-(1-fluoroethyl)-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]pyrimidin-4-amine (CID 11079009) is 5-chloro-6-(1-fluoroethyl)-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]pyrimidin-4-amine.
What is the SMILES notation for 5-chloro-6-(1-fluoroethyl)-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]pyrimidin-4-amine?
The canonical SMILES for 5-chloro-6-(1-fluoroethyl)-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]pyrimidin-4-amine is CC(F)c1ncnc(NCCc2ccc(OC(F)(F)F)cc2)c1Cl.
What is the InChIKey of 5-chloro-6-(1-fluoroethyl)-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]pyrimidin-4-amine?
The InChIKey is GJEREQYJIQASAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClF4N3O/c1-9(17)13-12(16)14(23-8-22-13)21-7-6-10-2-4-11(5-3-10)24-15(18,19)20/h2-5,8-9H,6-7H2,1H3,(H,21,22,23).
What are the key properties of 5-chloro-6-(1-fluoroethyl)-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]pyrimidin-4-amine?
5-chloro-6-(1-fluoroethyl)-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]pyrimidin-4-amine has a molecular weight of 363.74 g/mol, XLogP of 4.71, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-(1-fluoroethyl)-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]pyrimidin-4-amine is sourced from PubChem (CID 11079009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).