2-[5-(6-methyl-2-phenylpyrimidin-4-yl)-4,6-dihydropyrrolo[3,4-d]pyrazol-1-yl]ethanol

C18H19N5O — CID 56704674

IUPAC2-[5-(6-methyl-2-phenylpyrimidin-4-yl)-4,6-dihydropyrrolo[3,4-d]pyrazol-1-yl]ethanol
SMILESCc1cc(N2Cc3cnn(CCO)c3C2)nc(-c2ccccc2)n1
InChIInChI=1S/C18H19N5O/c1-13-9-17(21-18(20-13)14-5-3-2-4-6-14)22-11-15-10-19-23(7-8-24)16(15)12-22/h2-6,9-10,24H,7-8,11-12H2,1H3
InChIKeySOQDGGHPVZHRTD-UHFFFAOYSA-N
MW321.38 g/mol
LogP2.16
Rot. Bonds4

About 2-[5-(6-methyl-2-phenylpyrimidin-4-yl)-4,6-dihydropyrrolo[3,4-d]pyrazol-1-yl]ethanol

2-[5-(6-methyl-2-phenylpyrimidin-4-yl)-4,6-dihydropyrrolo[3,4-d]pyrazol-1-yl]ethanol (PubChem CID 56704674) has the molecular formula C18H19N5O and a molecular weight of 321.38 g/mol. Its IUPAC name is 2-[5-(6-methyl-2-phenylpyrimidin-4-yl)-4,6-dihydropyrrolo[3,4-d]pyrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[5-(6-methyl-2-phenylpyrimidin-4-yl)-4,6-dihydropyrrolo[3,4-d]pyrazol-1-yl]ethanol
PubChem CID56704674
Molecular FormulaC18H19N5O
Molecular Weight321.38 g/mol
Exact Mass321.16
IUPAC Name2-[5-(6-methyl-2-phenylpyrimidin-4-yl)-4,6-dihydropyrrolo[3,4-d]pyrazol-1-yl]ethanol
SMILESCc1cc(N2Cc3cnn(CCO)c3C2)nc(-c2ccccc2)n1
InChIInChI=1S/C18H19N5O/c1-13-9-17(21-18(20-13)14-5-3-2-4-6-14)22-11-15-10-19-23(7-8-24)16(15)12-22/h2-6,9-10,24H,7-8,11-12H2,1H3
InChIKeySOQDGGHPVZHRTD-UHFFFAOYSA-N
XLogP2.16
TPSA67.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(6-methyl-2-phenylpyrimidin-4-yl)-4,6-dihydropyrrolo[3,4-d]pyrazol-1-yl]ethanol?
The IUPAC name of 2-[5-(6-methyl-2-phenylpyrimidin-4-yl)-4,6-dihydropyrrolo[3,4-d]pyrazol-1-yl]ethanol (CID 56704674) is 2-[5-(6-methyl-2-phenylpyrimidin-4-yl)-4,6-dihydropyrrolo[3,4-d]pyrazol-1-yl]ethanol.
What is the SMILES notation for 2-[5-(6-methyl-2-phenylpyrimidin-4-yl)-4,6-dihydropyrrolo[3,4-d]pyrazol-1-yl]ethanol?
The canonical SMILES for 2-[5-(6-methyl-2-phenylpyrimidin-4-yl)-4,6-dihydropyrrolo[3,4-d]pyrazol-1-yl]ethanol is Cc1cc(N2Cc3cnn(CCO)c3C2)nc(-c2ccccc2)n1.
What is the InChIKey of 2-[5-(6-methyl-2-phenylpyrimidin-4-yl)-4,6-dihydropyrrolo[3,4-d]pyrazol-1-yl]ethanol?
The InChIKey is SOQDGGHPVZHRTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O/c1-13-9-17(21-18(20-13)14-5-3-2-4-6-14)22-11-15-10-19-23(7-8-24)16(15)12-22/h2-6,9-10,24H,7-8,11-12H2,1H3.
What are the key properties of 2-[5-(6-methyl-2-phenylpyrimidin-4-yl)-4,6-dihydropyrrolo[3,4-d]pyrazol-1-yl]ethanol?
2-[5-(6-methyl-2-phenylpyrimidin-4-yl)-4,6-dihydropyrrolo[3,4-d]pyrazol-1-yl]ethanol has a molecular weight of 321.38 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(6-methyl-2-phenylpyrimidin-4-yl)-4,6-dihydropyrrolo[3,4-d]pyrazol-1-yl]ethanol is sourced from PubChem (CID 56704674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).