4-amino-1,3,7,7a-tetrahydropyrrolo[2,3-d]pyrimidin-2-one

C6H8N4O — CID 132647832

IUPAC4-amino-1,3,7,7a-tetrahydropyrrolo[2,3-d]pyrimidin-2-one
SMILESNC1=C2C=CNC2NC(=O)N1
InChIInChI=1S/C6H8N4O/c7-4-3-1-2-8-5(3)10-6(11)9-4/h1-2,5,8H,7H2,(H2,9,10,11)
InChIKeyVBHWWAJCUJPFKC-UHFFFAOYSA-N
MW152.16 g/mol
LogP-1.09
Rot. Bonds

About 4-amino-1,3,7,7a-tetrahydropyrrolo[2,3-d]pyrimidin-2-one

4-amino-1,3,7,7a-tetrahydropyrrolo[2,3-d]pyrimidin-2-one (PubChem CID 132647832) has the molecular formula C6H8N4O and a molecular weight of 152.16 g/mol. Its IUPAC name is 4-amino-1,3,7,7a-tetrahydropyrrolo[2,3-d]pyrimidin-2-one.

Molecular Properties

Compound Name4-amino-1,3,7,7a-tetrahydropyrrolo[2,3-d]pyrimidin-2-one
PubChem CID132647832
Molecular FormulaC6H8N4O
Molecular Weight152.16 g/mol
Exact Mass152.07
IUPAC Name4-amino-1,3,7,7a-tetrahydropyrrolo[2,3-d]pyrimidin-2-one
SMILESNC1=C2C=CNC2NC(=O)N1
InChIInChI=1S/C6H8N4O/c7-4-3-1-2-8-5(3)10-6(11)9-4/h1-2,5,8H,7H2,(H2,9,10,11)
InChIKeyVBHWWAJCUJPFKC-UHFFFAOYSA-N
XLogP-1.09
TPSA79.18 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.16
LogP ≤ 5-1.09
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

7,7a-dihydro-1H-pyrrolo[2,3-b]pyridin-6-amine;ethane
CID 144639531
6-(3,4-diaminophenyl)-1,3,5-triazinane-2,4-dione
CID 15532008
ethyl 4-methyl-7,7a-dihydro-1H-pyrrolo[2,3-b]pyridine-2-carboxylate
CID 163462640
3-[4-methyl-3-[methyl-(2-oxo-1,3,7,7a-tetrahydropyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]-3-oxopropanenitrile
CID 91179541
(4S,5S)-3,4,5,7-tetrahydropurine-2,6-dione
CID 42427324
3-[4-ethyl-2,2,6,6-tetrahydroxy-3-[methyl-(2-oxo-1,3,7,7a-tetrahydropyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]-2,2-dihydroxy-3-oxopropanenitrile
CID 90730279
4-amino-2-hydroxy-2,5-dihydro-1H-1,3,5-triazin-6-one
CID 122691685
3,5,9,11-tetrazatricyclo[6.4.0.02,7]dodecane-4,6,10,12-tetrone
CID 101425559
2-methyl-1,2-dihydropyrrol-3-one
CID 23184788
8-methyl-1,2,3,4,4a,5-hexahydropyrido[2,3-b]pyrazine
CID 86340920
6-(2,4-dimethylphenyl)-1,3,5-triazinane-2,4-dione
CID 54018694
2-amino-1,2-dihydroimidazol-5-one
CID 18667660

Frequently Asked Questions

What is the IUPAC name of 4-amino-1,3,7,7a-tetrahydropyrrolo[2,3-d]pyrimidin-2-one?
The IUPAC name of 4-amino-1,3,7,7a-tetrahydropyrrolo[2,3-d]pyrimidin-2-one (CID 132647832) is 4-amino-1,3,7,7a-tetrahydropyrrolo[2,3-d]pyrimidin-2-one.
What is the SMILES notation for 4-amino-1,3,7,7a-tetrahydropyrrolo[2,3-d]pyrimidin-2-one?
The canonical SMILES for 4-amino-1,3,7,7a-tetrahydropyrrolo[2,3-d]pyrimidin-2-one is NC1=C2C=CNC2NC(=O)N1.
What is the InChIKey of 4-amino-1,3,7,7a-tetrahydropyrrolo[2,3-d]pyrimidin-2-one?
The InChIKey is VBHWWAJCUJPFKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N4O/c7-4-3-1-2-8-5(3)10-6(11)9-4/h1-2,5,8H,7H2,(H2,9,10,11).
What are the key properties of 4-amino-1,3,7,7a-tetrahydropyrrolo[2,3-d]pyrimidin-2-one?
4-amino-1,3,7,7a-tetrahydropyrrolo[2,3-d]pyrimidin-2-one has a molecular weight of 152.16 g/mol, XLogP of -1.09, 0 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1,3,7,7a-tetrahydropyrrolo[2,3-d]pyrimidin-2-one is sourced from PubChem (CID 132647832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).