6-ethyl-5-iodo-2-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine

C14H13F3IN3 — CID 66299270

IUPAC6-ethyl-5-iodo-2-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine
SMILESCCc1nc(Cc2cccc(C(F)(F)F)c2)nc(N)c1I
InChIInChI=1S/C14H13F3IN3/c1-2-10-12(18)13(19)21-11(20-10)7-8-4-3-5-9(6-8)14(15,16)17/h3-6H,2,7H2,1H3,(H2,19,20,21)
InChIKeyCBZCDZVMRUKFIN-UHFFFAOYSA-N
MW407.18 g/mol
LogP3.84
Rot. Bonds3

About 6-ethyl-5-iodo-2-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine

6-ethyl-5-iodo-2-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine (PubChem CID 66299270) has the molecular formula C14H13F3IN3 and a molecular weight of 407.18 g/mol. Its IUPAC name is 6-ethyl-5-iodo-2-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-ethyl-5-iodo-2-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine
PubChem CID66299270
Molecular FormulaC14H13F3IN3
Molecular Weight407.18 g/mol
Exact Mass407.01
IUPAC Name6-ethyl-5-iodo-2-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine
SMILESCCc1nc(Cc2cccc(C(F)(F)F)c2)nc(N)c1I
InChIInChI=1S/C14H13F3IN3/c1-2-10-12(18)13(19)21-11(20-10)7-8-4-3-5-9(6-8)14(15,16)17/h3-6H,2,7H2,1H3,(H2,19,20,21)
InChIKeyCBZCDZVMRUKFIN-UHFFFAOYSA-N
XLogP3.84
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.18
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-ethyl-5-iodo-2-[(3-methylphenyl)methyl]pyrimidin-4-amine
CID 66299080
2-[(3-chlorophenyl)methyl]-6-ethyl-5-iodopyrimidin-4-amine
CID 66298678
5-bromo-4-chloro-6-ethyl-2-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine
CID 66292577
4,6-dichloro-5-iodo-2-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine
CID 66316212
4-(trifluoromethyl)-6-[[3-(trifluoromethyl)phenyl]methyl]-1,3,5-triazin-2-amine
CID 58040029
5-bromo-2-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine
CID 66301823
5-iodo-3-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-thiadiazole
CID 102618418
2-chloro-4-propyl-6-[[3-(trifluoromethyl)phenyl]methyl]-1,3,5-triazine
CID 58040421
2-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine
CID 121010377
3-ethyl-5-[[3-(trifluoromethyl)phenyl]methyl]-1H-1,2,4-triazole
CID 123448222
[2-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]hydrazine
CID 14685626
2-chloro-4-ethoxy-6-[[3-(trifluoromethyl)phenyl]methyl]-1,3,5-triazine
CID 58039427

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-5-iodo-2-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine?
The IUPAC name of 6-ethyl-5-iodo-2-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine (CID 66299270) is 6-ethyl-5-iodo-2-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine.
What is the SMILES notation for 6-ethyl-5-iodo-2-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine?
The canonical SMILES for 6-ethyl-5-iodo-2-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine is CCc1nc(Cc2cccc(C(F)(F)F)c2)nc(N)c1I.
What is the InChIKey of 6-ethyl-5-iodo-2-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine?
The InChIKey is CBZCDZVMRUKFIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3IN3/c1-2-10-12(18)13(19)21-11(20-10)7-8-4-3-5-9(6-8)14(15,16)17/h3-6H,2,7H2,1H3,(H2,19,20,21).
What are the key properties of 6-ethyl-5-iodo-2-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine?
6-ethyl-5-iodo-2-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine has a molecular weight of 407.18 g/mol, XLogP of 3.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-5-iodo-2-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine is sourced from PubChem (CID 66299270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).