4-ethyl-2-(1H-pyrrol-2-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine

C12H14N4 — CID 114740855

IUPAC4-ethyl-2-(1H-pyrrol-2-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
SMILESCCc1nc(-c2ccc[nH]2)nc2c1CNC2
InChIInChI=1S/C12H14N4/c1-2-9-8-6-13-7-11(8)16-12(15-9)10-4-3-5-14-10/h3-5,13-14H,2,6-7H2,1H3
InChIKeyZWWNIWCJTNSTIK-UHFFFAOYSA-N
MW214.27 g/mol
LogP1.64
Rot. Bonds2

About 4-ethyl-2-(1H-pyrrol-2-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine

4-ethyl-2-(1H-pyrrol-2-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine (PubChem CID 114740855) has the molecular formula C12H14N4 and a molecular weight of 214.27 g/mol. Its IUPAC name is 4-ethyl-2-(1H-pyrrol-2-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine.

Molecular Properties

Compound Name4-ethyl-2-(1H-pyrrol-2-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
PubChem CID114740855
Molecular FormulaC12H14N4
Molecular Weight214.27 g/mol
Exact Mass214.12
IUPAC Name4-ethyl-2-(1H-pyrrol-2-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
SMILESCCc1nc(-c2ccc[nH]2)nc2c1CNC2
InChIInChI=1S/C12H14N4/c1-2-9-8-6-13-7-11(8)16-12(15-9)10-4-3-5-14-10/h3-5,13-14H,2,6-7H2,1H3
InChIKeyZWWNIWCJTNSTIK-UHFFFAOYSA-N
XLogP1.64
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-(1H-pyrrol-2-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine?
The IUPAC name of 4-ethyl-2-(1H-pyrrol-2-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine (CID 114740855) is 4-ethyl-2-(1H-pyrrol-2-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine.
What is the SMILES notation for 4-ethyl-2-(1H-pyrrol-2-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine?
The canonical SMILES for 4-ethyl-2-(1H-pyrrol-2-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine is CCc1nc(-c2ccc[nH]2)nc2c1CNC2.
What is the InChIKey of 4-ethyl-2-(1H-pyrrol-2-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine?
The InChIKey is ZWWNIWCJTNSTIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4/c1-2-9-8-6-13-7-11(8)16-12(15-9)10-4-3-5-14-10/h3-5,13-14H,2,6-7H2,1H3.
What are the key properties of 4-ethyl-2-(1H-pyrrol-2-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine?
4-ethyl-2-(1H-pyrrol-2-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine has a molecular weight of 214.27 g/mol, XLogP of 1.64, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-(1H-pyrrol-2-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine is sourced from PubChem (CID 114740855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).