4-chloro-2-methyl-6-[4-(trifluoromethoxy)phenyl]-5H-pyrrolo[3,2-d]pyrimidine

C14H9ClF3N3O — CID 18511099

IUPAC4-chloro-2-methyl-6-[4-(trifluoromethoxy)phenyl]-5H-pyrrolo[3,2-d]pyrimidine
SMILESCc1nc(Cl)c2[nH]c(-c3ccc(OC(F)(F)F)cc3)cc2n1
InChIInChI=1S/C14H9ClF3N3O/c1-7-19-11-6-10(21-12(11)13(15)20-7)8-2-4-9(5-3-8)22-14(16,17)18/h2-6,21H,1H3
InChIKeyOFQGTMMAGZNABI-UHFFFAOYSA-N
MW327.69 g/mol
LogP4.49
Rot. Bonds2

About 4-chloro-2-methyl-6-[4-(trifluoromethoxy)phenyl]-5H-pyrrolo[3,2-d]pyrimidine

4-chloro-2-methyl-6-[4-(trifluoromethoxy)phenyl]-5H-pyrrolo[3,2-d]pyrimidine (PubChem CID 18511099) has the molecular formula C14H9ClF3N3O and a molecular weight of 327.69 g/mol. Its IUPAC name is 4-chloro-2-methyl-6-[4-(trifluoromethoxy)phenyl]-5H-pyrrolo[3,2-d]pyrimidine.

Molecular Properties

Compound Name4-chloro-2-methyl-6-[4-(trifluoromethoxy)phenyl]-5H-pyrrolo[3,2-d]pyrimidine
PubChem CID18511099
Molecular FormulaC14H9ClF3N3O
Molecular Weight327.69 g/mol
Exact Mass327.04
IUPAC Name4-chloro-2-methyl-6-[4-(trifluoromethoxy)phenyl]-5H-pyrrolo[3,2-d]pyrimidine
SMILESCc1nc(Cl)c2[nH]c(-c3ccc(OC(F)(F)F)cc3)cc2n1
InChIInChI=1S/C14H9ClF3N3O/c1-7-19-11-6-10(21-12(11)13(15)20-7)8-2-4-9(5-3-8)22-14(16,17)18/h2-6,21H,1H3
InChIKeyOFQGTMMAGZNABI-UHFFFAOYSA-N
XLogP4.49
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.69
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methoxyphenyl)-1H-1,3-benzodiazole
CID 345686
7-butyl-6-(4-methoxyphenyl)-5H-pyrrolo[2,3-b]pyrazine
CID 3641059
6-(4-methoxyphenyl)-7-methyl-5H-pyrrolo[2,3-b]pyrazine
CID 6538782
6-(4-methoxyphenyl)-7-propyl-5H-pyrrolo[2,3-b]pyrazine
CID 6538784
6-phenyl[5H]pyrrolo[2,3-b]pyrazine (aloisine) 34
CID 6538787
4-chloro-8-methoxy-5H-pyrimido[5,4-b]indole
CID 5399944
6-(4-methoxyphenyl)-5H-pyrrolo[2,3-b]pyrazine
CID 6538770
7-(3-chloropropyl)-6-(4-methoxyphenyl)-5H-pyrrolo[2,3-b]pyrazine
CID 6538785
7-heptyl-6-(4-methoxyphenyl)-5H-pyrrolo[2,3-b]pyrazine
CID 6538788
6-(4-Methoxy-phenyl)-2-methyl-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidine
CID 10642181
2-(4-Methoxyphenyl)-5-(trifluoromethyl)-1H-benzimidazole
CID 14145040
3h-Imidazo[4,5-c]pyridine-4-carbonitrile,6-[4-methoxy-3-(trifluoromethyl)phenyl]-
CID 49862794

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-methyl-6-[4-(trifluoromethoxy)phenyl]-5H-pyrrolo[3,2-d]pyrimidine?
The IUPAC name of 4-chloro-2-methyl-6-[4-(trifluoromethoxy)phenyl]-5H-pyrrolo[3,2-d]pyrimidine (CID 18511099) is 4-chloro-2-methyl-6-[4-(trifluoromethoxy)phenyl]-5H-pyrrolo[3,2-d]pyrimidine.
What is the SMILES notation for 4-chloro-2-methyl-6-[4-(trifluoromethoxy)phenyl]-5H-pyrrolo[3,2-d]pyrimidine?
The canonical SMILES for 4-chloro-2-methyl-6-[4-(trifluoromethoxy)phenyl]-5H-pyrrolo[3,2-d]pyrimidine is Cc1nc(Cl)c2[nH]c(-c3ccc(OC(F)(F)F)cc3)cc2n1.
What is the InChIKey of 4-chloro-2-methyl-6-[4-(trifluoromethoxy)phenyl]-5H-pyrrolo[3,2-d]pyrimidine?
The InChIKey is OFQGTMMAGZNABI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClF3N3O/c1-7-19-11-6-10(21-12(11)13(15)20-7)8-2-4-9(5-3-8)22-14(16,17)18/h2-6,21H,1H3.
What are the key properties of 4-chloro-2-methyl-6-[4-(trifluoromethoxy)phenyl]-5H-pyrrolo[3,2-d]pyrimidine?
4-chloro-2-methyl-6-[4-(trifluoromethoxy)phenyl]-5H-pyrrolo[3,2-d]pyrimidine has a molecular weight of 327.69 g/mol, XLogP of 4.49, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-methyl-6-[4-(trifluoromethoxy)phenyl]-5H-pyrrolo[3,2-d]pyrimidine is sourced from PubChem (CID 18511099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).