6-(3-ethoxypropyl)-1,3-dimethyl-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione

C13H22N4O3 — CID 20866984

IUPAC6-(3-ethoxypropyl)-1,3-dimethyl-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione
SMILESCCOCCCN1CNc2c(c(=O)n(C)c(=O)n2C)C1
InChIInChI=1S/C13H22N4O3/c1-4-20-7-5-6-17-8-10-11(14-9-17)15(2)13(19)16(3)12(10)18/h14H,4-9H2,1-3H3
InChIKeyYOWXOPZGDPTHLJ-UHFFFAOYSA-N
MW282.34 g/mol
LogP-0.30
Rot. Bonds5

About 6-(3-ethoxypropyl)-1,3-dimethyl-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione

6-(3-ethoxypropyl)-1,3-dimethyl-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione (PubChem CID 20866984) has the molecular formula C13H22N4O3 and a molecular weight of 282.34 g/mol. Its IUPAC name is 6-(3-ethoxypropyl)-1,3-dimethyl-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-(3-ethoxypropyl)-1,3-dimethyl-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione
PubChem CID20866984
Molecular FormulaC13H22N4O3
Molecular Weight282.34 g/mol
Exact Mass282.17
IUPAC Name6-(3-ethoxypropyl)-1,3-dimethyl-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione
SMILESCCOCCCN1CNc2c(c(=O)n(C)c(=O)n2C)C1
InChIInChI=1S/C13H22N4O3/c1-4-20-7-5-6-17-8-10-11(14-9-17)15(2)13(19)16(3)12(10)18/h14H,4-9H2,1-3H3
InChIKeyYOWXOPZGDPTHLJ-UHFFFAOYSA-N
XLogP-0.30
TPSA68.50 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 5-0.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 6-(3-ethoxypropyl)-1,3-dimethyl-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione with MolForge

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Related Compounds

Pyrimido(4,5-d)pyrimidine-2,4(1H,3H)-dione, 5,6,7,8-tetrahydro-1,3,6-trimethyl-
CID 2738035
1,3-dimethyl-6-(3-morpholin-4-ylpropyl)-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione
CID 667038
Pyrimido(4,5-d)pyrimidine-2,4(1H,3H)-dione, 5,6,7,8-tetrahydro-1,3-dimethyl-6-ethyl-
CID 3048965
Pyrimido(4,5-d)pyrimidine-2,4(1H,3H)-dione, 5,6,7,8-tetrahydro-1,3-dimethyl-6-(2-propenyl)-
CID 3048966
1,3-dimethyl-6-(2-morpholin-4-ylethyl)-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione
CID 672080
6-butyl-1,3-dimethyl-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione
CID 1770032
6-(2-methoxyethyl)-1,3-dimethyl-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione
CID 1832556
1,3-dimethyl-6-propyl-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione
CID 712253
6-(cyclopropylmethyl)-1,3-dimethyl-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione
CID 2738037
6-[2-(dimethylamino)ethyl]-1,3-dimethyl-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione
CID 2826399
1,3-dimethyl-6-(propan-2-yl)-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione
CID 945361
6-(3-methoxypropyl)-1,3-dimethyl-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione
CID 2024570

Frequently Asked Questions

What is the IUPAC name of 6-(3-ethoxypropyl)-1,3-dimethyl-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione?
The IUPAC name of 6-(3-ethoxypropyl)-1,3-dimethyl-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione (CID 20866984) is 6-(3-ethoxypropyl)-1,3-dimethyl-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione.
What is the SMILES notation for 6-(3-ethoxypropyl)-1,3-dimethyl-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione?
The canonical SMILES for 6-(3-ethoxypropyl)-1,3-dimethyl-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione is CCOCCCN1CNc2c(c(=O)n(C)c(=O)n2C)C1.
What is the InChIKey of 6-(3-ethoxypropyl)-1,3-dimethyl-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione?
The InChIKey is YOWXOPZGDPTHLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O3/c1-4-20-7-5-6-17-8-10-11(14-9-17)15(2)13(19)16(3)12(10)18/h14H,4-9H2,1-3H3.
What are the key properties of 6-(3-ethoxypropyl)-1,3-dimethyl-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione?
6-(3-ethoxypropyl)-1,3-dimethyl-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione has a molecular weight of 282.34 g/mol, XLogP of -0.30, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-ethoxypropyl)-1,3-dimethyl-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione is sourced from PubChem (CID 20866984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).