6-chloro-N-ethyl-5-propyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine

C11H15ClF3N3 — CID 63728666

IUPAC6-chloro-N-ethyl-5-propyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine
SMILESCCCc1c(Cl)ncnc1N(CC)CC(F)(F)F
InChIInChI=1S/C11H15ClF3N3/c1-3-5-8-9(12)16-7-17-10(8)18(4-2)6-11(13,14)15/h7H,3-6H2,1-2H3
InChIKeyQIMXXIAWQOTDQQ-UHFFFAOYSA-N
MW281.71 g/mol
LogP3.47
Rot. Bonds5

About 6-chloro-N-ethyl-5-propyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine

6-chloro-N-ethyl-5-propyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine (PubChem CID 63728666) has the molecular formula C11H15ClF3N3 and a molecular weight of 281.71 g/mol. Its IUPAC name is 6-chloro-N-ethyl-5-propyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-ethyl-5-propyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine
PubChem CID63728666
Molecular FormulaC11H15ClF3N3
Molecular Weight281.71 g/mol
Exact Mass281.09
IUPAC Name6-chloro-N-ethyl-5-propyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine
SMILESCCCc1c(Cl)ncnc1N(CC)CC(F)(F)F
InChIInChI=1S/C11H15ClF3N3/c1-3-5-8-9(12)16-7-17-10(8)18(4-2)6-11(13,14)15/h7H,3-6H2,1-2H3
InChIKeyQIMXXIAWQOTDQQ-UHFFFAOYSA-N
XLogP3.47
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.71
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-Chloro-5-cyclopropylpyrimidin-4-amine
CID 46739895
4-Chloro-2-methyl-5-propylpyrimidine
CID 28064543
4-chloro-5H,6H,7H,8H,9H-pyrimido(4,5-b)azepine
CID 129929313
6-Chloro-5-(3-fluoropropyl)pyrimidin-4-amine
CID 123699533
4-Chloro-5-(1-chlorocyclopropyl)-2-(difluoromethyl)pyrimidine
CID 140971488
4-Chloro-5-(trifluoromethyl)-5,6-dihydropyrido[2,3-d]pyrimidine
CID 141291417
(5R)-4-chloro-5-(trifluoromethyl)-5,6-dihydropyrido[2,3-d]pyrimidine
CID 141291429
4-Chloro-5-(4,4,4-trifluorobutyl)pyrimidine
CID 142493168
4-Chloro-2-fluoro-5-(2-methylbutan-2-yl)pyrimidine
CID 146377567
4-Chloro-6-fluoro-5-propylpyrimidine
CID 155572473
N-tert-butyl-6-chloro-5-(2,2,2-trifluoroethanimidoyl)pyrimidin-4-amine
CID 156533017
N'-[4,6-dichloro-5-(2,2,2-trifluoroethyl)pyrimidin-2-yl]-N,N-dimethylmethanimidamide
CID 163247640

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-ethyl-5-propyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine?
The IUPAC name of 6-chloro-N-ethyl-5-propyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine (CID 63728666) is 6-chloro-N-ethyl-5-propyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-ethyl-5-propyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-ethyl-5-propyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine is CCCc1c(Cl)ncnc1N(CC)CC(F)(F)F.
What is the InChIKey of 6-chloro-N-ethyl-5-propyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine?
The InChIKey is QIMXXIAWQOTDQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClF3N3/c1-3-5-8-9(12)16-7-17-10(8)18(4-2)6-11(13,14)15/h7H,3-6H2,1-2H3.
What are the key properties of 6-chloro-N-ethyl-5-propyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine?
6-chloro-N-ethyl-5-propyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine has a molecular weight of 281.71 g/mol, XLogP of 3.47, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-ethyl-5-propyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine is sourced from PubChem (CID 63728666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).