1,3-dimethyl-4a,9a,10,10a-tetrahydropurino[7,8-a]pyrimidine-2,4-dione

C10H13N5O2 — CID 70443218

IUPAC1,3-dimethyl-4a,9a,10,10a-tetrahydropurino[7,8-a]pyrimidine-2,4-dione
SMILESCN1C(=O)C2C(NC3N=CC=CN32)N(C)C1=O
InChIInChI=1S/C10H13N5O2/c1-13-7-6(8(16)14(2)10(13)17)15-5-3-4-11-9(15)12-7/h3-7,9,12H,1-2H3
InChIKeyOODYQSJWINDFAL-UHFFFAOYSA-N
MW235.25 g/mol
LogP-1.01
Rot. Bonds

About 1,3-dimethyl-4a,9a,10,10a-tetrahydropurino[7,8-a]pyrimidine-2,4-dione

1,3-dimethyl-4a,9a,10,10a-tetrahydropurino[7,8-a]pyrimidine-2,4-dione (PubChem CID 70443218) has the molecular formula C10H13N5O2 and a molecular weight of 235.25 g/mol. Its IUPAC name is 1,3-dimethyl-4a,9a,10,10a-tetrahydropurino[7,8-a]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1,3-dimethyl-4a,9a,10,10a-tetrahydropurino[7,8-a]pyrimidine-2,4-dione
PubChem CID70443218
Molecular FormulaC10H13N5O2
Molecular Weight235.25 g/mol
Exact Mass235.11
IUPAC Name1,3-dimethyl-4a,9a,10,10a-tetrahydropurino[7,8-a]pyrimidine-2,4-dione
SMILESCN1C(=O)C2C(NC3N=CC=CN32)N(C)C1=O
InChIInChI=1S/C10H13N5O2/c1-13-7-6(8(16)14(2)10(13)17)15-5-3-4-11-9(15)12-7/h3-7,9,12H,1-2H3
InChIKeyOODYQSJWINDFAL-UHFFFAOYSA-N
XLogP-1.01
TPSA68.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.25
LogP ≤ 5-1.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-4a,9a,10,10a-tetrahydropurino[7,8-a]pyrimidine-2,4-dione?
The IUPAC name of 1,3-dimethyl-4a,9a,10,10a-tetrahydropurino[7,8-a]pyrimidine-2,4-dione (CID 70443218) is 1,3-dimethyl-4a,9a,10,10a-tetrahydropurino[7,8-a]pyrimidine-2,4-dione.
What is the SMILES notation for 1,3-dimethyl-4a,9a,10,10a-tetrahydropurino[7,8-a]pyrimidine-2,4-dione?
The canonical SMILES for 1,3-dimethyl-4a,9a,10,10a-tetrahydropurino[7,8-a]pyrimidine-2,4-dione is CN1C(=O)C2C(NC3N=CC=CN32)N(C)C1=O.
What is the InChIKey of 1,3-dimethyl-4a,9a,10,10a-tetrahydropurino[7,8-a]pyrimidine-2,4-dione?
The InChIKey is OODYQSJWINDFAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O2/c1-13-7-6(8(16)14(2)10(13)17)15-5-3-4-11-9(15)12-7/h3-7,9,12H,1-2H3.
What are the key properties of 1,3-dimethyl-4a,9a,10,10a-tetrahydropurino[7,8-a]pyrimidine-2,4-dione?
1,3-dimethyl-4a,9a,10,10a-tetrahydropurino[7,8-a]pyrimidine-2,4-dione has a molecular weight of 235.25 g/mol, XLogP of -1.01, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-4a,9a,10,10a-tetrahydropurino[7,8-a]pyrimidine-2,4-dione is sourced from PubChem (CID 70443218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).