1,3-dipropyl-4a,10a-dihydropurino[7,8-a]pyrimidine-2,4-dione

C14H19N5O2 — CID 10085575

IUPAC1,3-dipropyl-4a,10a-dihydropurino[7,8-a]pyrimidine-2,4-dione
SMILESCCCN1C(=O)C2C(N=C3N=CC=CN32)N(CCC)C1=O
InChIInChI=1S/C14H19N5O2/c1-3-7-18-11-10(12(20)19(8-4-2)14(18)21)17-9-5-6-15-13(17)16-11/h5-6,9-11H,3-4,7-8H2,1-2H3
InChIKeyDZLLYDJDGAFLBS-UHFFFAOYSA-N
MW289.34 g/mol
LogP1.03
Rot. Bonds4

About 1,3-dipropyl-4a,10a-dihydropurino[7,8-a]pyrimidine-2,4-dione

1,3-dipropyl-4a,10a-dihydropurino[7,8-a]pyrimidine-2,4-dione (PubChem CID 10085575) has the molecular formula C14H19N5O2 and a molecular weight of 289.34 g/mol. Its IUPAC name is 1,3-dipropyl-4a,10a-dihydropurino[7,8-a]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1,3-dipropyl-4a,10a-dihydropurino[7,8-a]pyrimidine-2,4-dione
PubChem CID10085575
Molecular FormulaC14H19N5O2
Molecular Weight289.34 g/mol
Exact Mass289.15
IUPAC Name1,3-dipropyl-4a,10a-dihydropurino[7,8-a]pyrimidine-2,4-dione
SMILESCCCN1C(=O)C2C(N=C3N=CC=CN32)N(CCC)C1=O
InChIInChI=1S/C14H19N5O2/c1-3-7-18-11-10(12(20)19(8-4-2)14(18)21)17-9-5-6-15-13(17)16-11/h5-6,9-11H,3-4,7-8H2,1-2H3
InChIKeyDZLLYDJDGAFLBS-UHFFFAOYSA-N
XLogP1.03
TPSA68.58 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3,7-Dimethyl-1-prop-2-enyl-4,5-dihydropurine-2,6-dione
CID 135044914
7-Bromo-1,3-dipropyl-4a,10a-dihydropurino[7,8-a]pyrimidine-2,4-dione
CID 10067573
3,7-dimethyl-1-prop-2-enyl-5H-purin-7-ium-2,6-dione
CID 77114682
1,3-dimethyl-7-prop-2-enyl-5H-purin-7-ium-2,6-dione
CID 77114688
7-ethenyl-1,3-dimethyl-5H-purin-7-ium-2,6-dione
CID 78172087
(1,3-dimethyl-2,6-dioxo-7-prop-2-enyl-5H-purin-8-ylidene)-diethylazanium
CID 133568065
(1,3-dimethyl-2,6-dioxo-7-prop-2-enyl-5H-purin-8-ylidene)-dimethylazanium
CID 133568080
9-[(E)-but-2-enyl]-1,3-dimethyl-4a,6,7,8-tetrahydropurino[7,8-a]pyrimidin-9-ium-2,4-dione
CID 167999609
3,9-bis[(E)-but-2-enyl]-1-methyl-4a,6,7,8-tetrahydropurino[7,8-a]pyrimidin-9-ium-2,4-dione
CID 167999732

Frequently Asked Questions

What is the IUPAC name of 1,3-dipropyl-4a,10a-dihydropurino[7,8-a]pyrimidine-2,4-dione?
The IUPAC name of 1,3-dipropyl-4a,10a-dihydropurino[7,8-a]pyrimidine-2,4-dione (CID 10085575) is 1,3-dipropyl-4a,10a-dihydropurino[7,8-a]pyrimidine-2,4-dione.
What is the SMILES notation for 1,3-dipropyl-4a,10a-dihydropurino[7,8-a]pyrimidine-2,4-dione?
The canonical SMILES for 1,3-dipropyl-4a,10a-dihydropurino[7,8-a]pyrimidine-2,4-dione is CCCN1C(=O)C2C(N=C3N=CC=CN32)N(CCC)C1=O.
What is the InChIKey of 1,3-dipropyl-4a,10a-dihydropurino[7,8-a]pyrimidine-2,4-dione?
The InChIKey is DZLLYDJDGAFLBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O2/c1-3-7-18-11-10(12(20)19(8-4-2)14(18)21)17-9-5-6-15-13(17)16-11/h5-6,9-11H,3-4,7-8H2,1-2H3.
What are the key properties of 1,3-dipropyl-4a,10a-dihydropurino[7,8-a]pyrimidine-2,4-dione?
1,3-dipropyl-4a,10a-dihydropurino[7,8-a]pyrimidine-2,4-dione has a molecular weight of 289.34 g/mol, XLogP of 1.03, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dipropyl-4a,10a-dihydropurino[7,8-a]pyrimidine-2,4-dione is sourced from PubChem (CID 10085575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).