2-amino-7-(cyclohexen-1-yl)-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one

C12H14N4O — CID 135552943

IUPAC2-amino-7-(cyclohexen-1-yl)-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one
SMILESNc1nc2c(C3=CCCCC3)c[nH]c2c(=O)[nH]1
InChIInChI=1S/C12H14N4O/c13-12-15-9-8(7-4-2-1-3-5-7)6-14-10(9)11(17)16-12/h4,6,14H,1-3,5H2,(H3,13,15,16,17)
InChIKeyVWZFXCVUFKBULH-UHFFFAOYSA-N
MW230.27 g/mol
LogP1.79
Rot. Bonds1

About 2-amino-7-(cyclohexen-1-yl)-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one

2-amino-7-(cyclohexen-1-yl)-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one (PubChem CID 135552943) has the molecular formula C12H14N4O and a molecular weight of 230.27 g/mol. Its IUPAC name is 2-amino-7-(cyclohexen-1-yl)-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-amino-7-(cyclohexen-1-yl)-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one
PubChem CID135552943
Molecular FormulaC12H14N4O
Molecular Weight230.27 g/mol
Exact Mass230.12
IUPAC Name2-amino-7-(cyclohexen-1-yl)-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one
SMILESNc1nc2c(C3=CCCCC3)c[nH]c2c(=O)[nH]1
InChIInChI=1S/C12H14N4O/c13-12-15-9-8(7-4-2-1-3-5-7)6-14-10(9)11(17)16-12/h4,6,14H,1-3,5H2,(H3,13,15,16,17)
InChIKeyVWZFXCVUFKBULH-UHFFFAOYSA-N
XLogP1.79
TPSA87.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 51.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-7-(cyclohexen-1-yl)-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one?
The IUPAC name of 2-amino-7-(cyclohexen-1-yl)-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one (CID 135552943) is 2-amino-7-(cyclohexen-1-yl)-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 2-amino-7-(cyclohexen-1-yl)-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one?
The canonical SMILES for 2-amino-7-(cyclohexen-1-yl)-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one is Nc1nc2c(C3=CCCCC3)c[nH]c2c(=O)[nH]1.
What is the InChIKey of 2-amino-7-(cyclohexen-1-yl)-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one?
The InChIKey is VWZFXCVUFKBULH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O/c13-12-15-9-8(7-4-2-1-3-5-7)6-14-10(9)11(17)16-12/h4,6,14H,1-3,5H2,(H3,13,15,16,17).
What are the key properties of 2-amino-7-(cyclohexen-1-yl)-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one?
2-amino-7-(cyclohexen-1-yl)-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one has a molecular weight of 230.27 g/mol, XLogP of 1.79, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-7-(cyclohexen-1-yl)-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 135552943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).