6-[[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]methyl]-5,7-dihydropyrrolo[3,4-d]pyrimidine

C12H12F3N5 — CID 121160701

IUPAC6-[[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]methyl]-5,7-dihydropyrrolo[3,4-d]pyrimidine
SMILESCn1ncc(CN2Cc3cncnc3C2)c1C(F)(F)F
InChIInChI=1S/C12H12F3N5/c1-19-11(12(13,14)15)9(3-18-19)5-20-4-8-2-16-7-17-10(8)6-20/h2-3,7H,4-6H2,1H3
InChIKeyPOSCPZZMPBPELR-UHFFFAOYSA-N
MW283.26 g/mol
LogP1.74
Rot. Bonds2

About 6-[[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]methyl]-5,7-dihydropyrrolo[3,4-d]pyrimidine

6-[[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]methyl]-5,7-dihydropyrrolo[3,4-d]pyrimidine (PubChem CID 121160701) has the molecular formula C12H12F3N5 and a molecular weight of 283.26 g/mol. Its IUPAC name is 6-[[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]methyl]-5,7-dihydropyrrolo[3,4-d]pyrimidine.

Molecular Properties

Compound Name6-[[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]methyl]-5,7-dihydropyrrolo[3,4-d]pyrimidine
PubChem CID121160701
Molecular FormulaC12H12F3N5
Molecular Weight283.26 g/mol
Exact Mass283.10
IUPAC Name6-[[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]methyl]-5,7-dihydropyrrolo[3,4-d]pyrimidine
SMILESCn1ncc(CN2Cc3cncnc3C2)c1C(F)(F)F
InChIInChI=1S/C12H12F3N5/c1-19-11(12(13,14)15)9(3-18-19)5-20-4-8-2-16-7-17-10(8)6-20/h2-3,7H,4-6H2,1H3
InChIKeyPOSCPZZMPBPELR-UHFFFAOYSA-N
XLogP1.74
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.26
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]methyl]-5,7-dihydropyrrolo[3,4-d]pyrimidine?
The IUPAC name of 6-[[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]methyl]-5,7-dihydropyrrolo[3,4-d]pyrimidine (CID 121160701) is 6-[[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]methyl]-5,7-dihydropyrrolo[3,4-d]pyrimidine.
What is the SMILES notation for 6-[[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]methyl]-5,7-dihydropyrrolo[3,4-d]pyrimidine?
The canonical SMILES for 6-[[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]methyl]-5,7-dihydropyrrolo[3,4-d]pyrimidine is Cn1ncc(CN2Cc3cncnc3C2)c1C(F)(F)F.
What is the InChIKey of 6-[[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]methyl]-5,7-dihydropyrrolo[3,4-d]pyrimidine?
The InChIKey is POSCPZZMPBPELR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3N5/c1-19-11(12(13,14)15)9(3-18-19)5-20-4-8-2-16-7-17-10(8)6-20/h2-3,7H,4-6H2,1H3.
What are the key properties of 6-[[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]methyl]-5,7-dihydropyrrolo[3,4-d]pyrimidine?
6-[[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]methyl]-5,7-dihydropyrrolo[3,4-d]pyrimidine has a molecular weight of 283.26 g/mol, XLogP of 1.74, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]methyl]-5,7-dihydropyrrolo[3,4-d]pyrimidine is sourced from PubChem (CID 121160701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).