1-methyl-5-pyrimidin-2-yl-3-(pyrrol-1-ylmethyl)-4,6-dihydropyrrolo[3,4-d]pyrazole

C15H16N6 — CID 97405305

IUPAC1-methyl-5-pyrimidin-2-yl-3-(pyrrol-1-ylmethyl)-4,6-dihydropyrrolo[3,4-d]pyrazole
SMILESCn1nc(Cn2cccc2)c2c1CN(c1ncccn1)C2
InChIInChI=1S/C15H16N6/c1-19-14-11-21(15-16-5-4-6-17-15)9-12(14)13(18-19)10-20-7-2-3-8-20/h2-8H,9-11H2,1H3
InChIKeyMXQBWADOOSIEJF-UHFFFAOYSA-N
MW280.33 g/mol
LogP1.58
Rot. Bonds3

About 1-methyl-5-pyrimidin-2-yl-3-(pyrrol-1-ylmethyl)-4,6-dihydropyrrolo[3,4-d]pyrazole

1-methyl-5-pyrimidin-2-yl-3-(pyrrol-1-ylmethyl)-4,6-dihydropyrrolo[3,4-d]pyrazole (PubChem CID 97405305) has the molecular formula C15H16N6 and a molecular weight of 280.33 g/mol. Its IUPAC name is 1-methyl-5-pyrimidin-2-yl-3-(pyrrol-1-ylmethyl)-4,6-dihydropyrrolo[3,4-d]pyrazole.

Molecular Properties

Compound Name1-methyl-5-pyrimidin-2-yl-3-(pyrrol-1-ylmethyl)-4,6-dihydropyrrolo[3,4-d]pyrazole
PubChem CID97405305
Molecular FormulaC15H16N6
Molecular Weight280.33 g/mol
Exact Mass280.14
IUPAC Name1-methyl-5-pyrimidin-2-yl-3-(pyrrol-1-ylmethyl)-4,6-dihydropyrrolo[3,4-d]pyrazole
SMILESCn1nc(Cn2cccc2)c2c1CN(c1ncccn1)C2
InChIInChI=1S/C15H16N6/c1-19-14-11-21(15-16-5-4-6-17-15)9-12(14)13(18-19)10-20-7-2-3-8-20/h2-8H,9-11H2,1H3
InChIKeyMXQBWADOOSIEJF-UHFFFAOYSA-N
XLogP1.58
TPSA51.77 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-pyrimidin-2-yl-3-(pyrrol-1-ylmethyl)-4,6-dihydropyrrolo[3,4-d]pyrazole?
The IUPAC name of 1-methyl-5-pyrimidin-2-yl-3-(pyrrol-1-ylmethyl)-4,6-dihydropyrrolo[3,4-d]pyrazole (CID 97405305) is 1-methyl-5-pyrimidin-2-yl-3-(pyrrol-1-ylmethyl)-4,6-dihydropyrrolo[3,4-d]pyrazole.
What is the SMILES notation for 1-methyl-5-pyrimidin-2-yl-3-(pyrrol-1-ylmethyl)-4,6-dihydropyrrolo[3,4-d]pyrazole?
The canonical SMILES for 1-methyl-5-pyrimidin-2-yl-3-(pyrrol-1-ylmethyl)-4,6-dihydropyrrolo[3,4-d]pyrazole is Cn1nc(Cn2cccc2)c2c1CN(c1ncccn1)C2.
What is the InChIKey of 1-methyl-5-pyrimidin-2-yl-3-(pyrrol-1-ylmethyl)-4,6-dihydropyrrolo[3,4-d]pyrazole?
The InChIKey is MXQBWADOOSIEJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N6/c1-19-14-11-21(15-16-5-4-6-17-15)9-12(14)13(18-19)10-20-7-2-3-8-20/h2-8H,9-11H2,1H3.
What are the key properties of 1-methyl-5-pyrimidin-2-yl-3-(pyrrol-1-ylmethyl)-4,6-dihydropyrrolo[3,4-d]pyrazole?
1-methyl-5-pyrimidin-2-yl-3-(pyrrol-1-ylmethyl)-4,6-dihydropyrrolo[3,4-d]pyrazole has a molecular weight of 280.33 g/mol, XLogP of 1.58, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-pyrimidin-2-yl-3-(pyrrol-1-ylmethyl)-4,6-dihydropyrrolo[3,4-d]pyrazole is sourced from PubChem (CID 97405305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).