2-[1-[(4-fluorophenyl)methyl]-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]-N,6-dimethylpyrimidin-4-amine

C18H19FN6 — CID 56753695

IUPAC2-[1-[(4-fluorophenyl)methyl]-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]-N,6-dimethylpyrimidin-4-amine
SMILESCNc1cc(C)nc(N2Cc3cnn(Cc4ccc(F)cc4)c3C2)n1
InChIInChI=1S/C18H19FN6/c1-12-7-17(20-2)23-18(22-12)24-10-14-8-21-25(16(14)11-24)9-13-3-5-15(19)6-4-13/h3-8H,9-11H2,1-2H3,(H,20,22,23)
InChIKeyCMWANGUYEGBSLU-UHFFFAOYSA-N
MW338.39 g/mol
LogP2.73
Rot. Bonds4

About 2-[1-[(4-fluorophenyl)methyl]-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]-N,6-dimethylpyrimidin-4-amine

2-[1-[(4-fluorophenyl)methyl]-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]-N,6-dimethylpyrimidin-4-amine (PubChem CID 56753695) has the molecular formula C18H19FN6 and a molecular weight of 338.39 g/mol. Its IUPAC name is 2-[1-[(4-fluorophenyl)methyl]-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]-N,6-dimethylpyrimidin-4-amine.

Molecular Properties

Compound Name2-[1-[(4-fluorophenyl)methyl]-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]-N,6-dimethylpyrimidin-4-amine
PubChem CID56753695
Molecular FormulaC18H19FN6
Molecular Weight338.39 g/mol
Exact Mass338.17
IUPAC Name2-[1-[(4-fluorophenyl)methyl]-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]-N,6-dimethylpyrimidin-4-amine
SMILESCNc1cc(C)nc(N2Cc3cnn(Cc4ccc(F)cc4)c3C2)n1
InChIInChI=1S/C18H19FN6/c1-12-7-17(20-2)23-18(22-12)24-10-14-8-21-25(16(14)11-24)9-13-3-5-15(19)6-4-13/h3-8H,9-11H2,1-2H3,(H,20,22,23)
InChIKeyCMWANGUYEGBSLU-UHFFFAOYSA-N
XLogP2.73
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.39
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(4-fluorophenyl)methyl]-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]-N,6-dimethylpyrimidin-4-amine?
The IUPAC name of 2-[1-[(4-fluorophenyl)methyl]-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]-N,6-dimethylpyrimidin-4-amine (CID 56753695) is 2-[1-[(4-fluorophenyl)methyl]-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]-N,6-dimethylpyrimidin-4-amine.
What is the SMILES notation for 2-[1-[(4-fluorophenyl)methyl]-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]-N,6-dimethylpyrimidin-4-amine?
The canonical SMILES for 2-[1-[(4-fluorophenyl)methyl]-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]-N,6-dimethylpyrimidin-4-amine is CNc1cc(C)nc(N2Cc3cnn(Cc4ccc(F)cc4)c3C2)n1.
What is the InChIKey of 2-[1-[(4-fluorophenyl)methyl]-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]-N,6-dimethylpyrimidin-4-amine?
The InChIKey is CMWANGUYEGBSLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN6/c1-12-7-17(20-2)23-18(22-12)24-10-14-8-21-25(16(14)11-24)9-13-3-5-15(19)6-4-13/h3-8H,9-11H2,1-2H3,(H,20,22,23).
What are the key properties of 2-[1-[(4-fluorophenyl)methyl]-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]-N,6-dimethylpyrimidin-4-amine?
2-[1-[(4-fluorophenyl)methyl]-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]-N,6-dimethylpyrimidin-4-amine has a molecular weight of 338.39 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(4-fluorophenyl)methyl]-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]-N,6-dimethylpyrimidin-4-amine is sourced from PubChem (CID 56753695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).