1-cyclopropyl-3-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-ylmethyl)pyrimidine-2,4-dione

C14H16N4O2 — CID 167823651

IUPAC1-cyclopropyl-3-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-ylmethyl)pyrimidine-2,4-dione
SMILESO=c1ccn(C2CC2)c(=O)n1Cc1cc2n(n1)CCC2
InChIInChI=1S/C14H16N4O2/c19-13-5-7-16(11-3-4-11)14(20)17(13)9-10-8-12-2-1-6-18(12)15-10/h5,7-8,11H,1-4,6,9H2
InChIKeyCUPOANMXQXZPGY-UHFFFAOYSA-N
MW272.31 g/mol
LogP0.54
Rot. Bonds3

About 1-cyclopropyl-3-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-ylmethyl)pyrimidine-2,4-dione

1-cyclopropyl-3-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-ylmethyl)pyrimidine-2,4-dione (PubChem CID 167823651) has the molecular formula C14H16N4O2 and a molecular weight of 272.31 g/mol. Its IUPAC name is 1-cyclopropyl-3-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-ylmethyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-cyclopropyl-3-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-ylmethyl)pyrimidine-2,4-dione
PubChem CID167823651
Molecular FormulaC14H16N4O2
Molecular Weight272.31 g/mol
Exact Mass272.13
IUPAC Name1-cyclopropyl-3-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-ylmethyl)pyrimidine-2,4-dione
SMILESO=c1ccn(C2CC2)c(=O)n1Cc1cc2n(n1)CCC2
InChIInChI=1S/C14H16N4O2/c19-13-5-7-16(11-3-4-11)14(20)17(13)9-10-8-12-2-1-6-18(12)15-10/h5,7-8,11H,1-4,6,9H2
InChIKeyCUPOANMXQXZPGY-UHFFFAOYSA-N
XLogP0.54
TPSA61.82 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 50.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-ylmethyl)pyrimidine-2,4-dione?
The IUPAC name of 1-cyclopropyl-3-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-ylmethyl)pyrimidine-2,4-dione (CID 167823651) is 1-cyclopropyl-3-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-ylmethyl)pyrimidine-2,4-dione.
What is the SMILES notation for 1-cyclopropyl-3-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-ylmethyl)pyrimidine-2,4-dione?
The canonical SMILES for 1-cyclopropyl-3-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-ylmethyl)pyrimidine-2,4-dione is O=c1ccn(C2CC2)c(=O)n1Cc1cc2n(n1)CCC2.
What is the InChIKey of 1-cyclopropyl-3-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-ylmethyl)pyrimidine-2,4-dione?
The InChIKey is CUPOANMXQXZPGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2/c19-13-5-7-16(11-3-4-11)14(20)17(13)9-10-8-12-2-1-6-18(12)15-10/h5,7-8,11H,1-4,6,9H2.
What are the key properties of 1-cyclopropyl-3-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-ylmethyl)pyrimidine-2,4-dione?
1-cyclopropyl-3-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-ylmethyl)pyrimidine-2,4-dione has a molecular weight of 272.31 g/mol, XLogP of 0.54, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-ylmethyl)pyrimidine-2,4-dione is sourced from PubChem (CID 167823651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).