3-ethyl-6-methyl-2-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-one

C10H10F3N3O — CID 110429663

IUPAC3-ethyl-6-methyl-2-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-one
SMILESCCn1c(C(F)(F)F)nc2[nH]c(C)cc2c1=O
InChIInChI=1S/C10H10F3N3O/c1-3-16-8(17)6-4-5(2)14-7(6)15-9(16)10(11,12)13/h4,14H,3H2,1-2H3
InChIKeyROWZMXWCCBCUAQ-UHFFFAOYSA-N
MW245.20 g/mol
LogP2.07
Rot. Bonds1

About 3-ethyl-6-methyl-2-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-one

3-ethyl-6-methyl-2-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-one (PubChem CID 110429663) has the molecular formula C10H10F3N3O and a molecular weight of 245.20 g/mol. Its IUPAC name is 3-ethyl-6-methyl-2-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-ethyl-6-methyl-2-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-one
PubChem CID110429663
Molecular FormulaC10H10F3N3O
Molecular Weight245.20 g/mol
Exact Mass245.08
IUPAC Name3-ethyl-6-methyl-2-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-one
SMILESCCn1c(C(F)(F)F)nc2[nH]c(C)cc2c1=O
InChIInChI=1S/C10H10F3N3O/c1-3-16-8(17)6-4-5(2)14-7(6)15-9(16)10(11,12)13/h4,14H,3H2,1-2H3
InChIKeyROWZMXWCCBCUAQ-UHFFFAOYSA-N
XLogP2.07
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.20
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-Amino-6-methyl-1,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
CID 135453810
5,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-ol
CID 135578192
6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-ol
CID 135493707
1H-Pyrrolo(2,3-d)pyrimidine-2,4(3H,7H)-dione, 1-phenyl-3,5,6-trimethyl-
CID 218467
6-Ethyl-2-mercapto-7H-pyrrolo[2,3-d]pyrimidin-4-ol
CID 67034987
2-amino-6-methyl-5H,6H,7H-pyrrolo[3,4-b]pyridin-5-one
CID 131494941
(4-bromophenyl)(5,7,7-trimethyl-7H-imidazo[2,1-b][1,3]thiazin-3-yl)methanone
CID 135460931
6-ethyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diol
CID 68387390
2-Amino-6-ethyl-3,7-dihydro-pyrrolo
CID 135438441
2-Amino-6-(2-aminoethyl)-3,7-dihydro-4h-pyrrolo[2,3-d]pyrimidin-4-one
CID 152552673
1,3-di(propan-2-yl)-6-(2,2,2-trifluoroacetyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-dione
CID 11427520
1,3-dimethyl-6-(2,2,2-trifluoroacetyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-dione
CID 14268713

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-6-methyl-2-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-one?
The IUPAC name of 3-ethyl-6-methyl-2-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-one (CID 110429663) is 3-ethyl-6-methyl-2-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 3-ethyl-6-methyl-2-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-one?
The canonical SMILES for 3-ethyl-6-methyl-2-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-one is CCn1c(C(F)(F)F)nc2[nH]c(C)cc2c1=O.
What is the InChIKey of 3-ethyl-6-methyl-2-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-one?
The InChIKey is ROWZMXWCCBCUAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3N3O/c1-3-16-8(17)6-4-5(2)14-7(6)15-9(16)10(11,12)13/h4,14H,3H2,1-2H3.
What are the key properties of 3-ethyl-6-methyl-2-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-one?
3-ethyl-6-methyl-2-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-one has a molecular weight of 245.20 g/mol, XLogP of 2.07, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-6-methyl-2-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 110429663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).