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

C12H20N4O3 — CID 2024570

IUPAC6-(3-methoxypropyl)-1,3-dimethyl-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione
SMILESCOCCCN1CNc2c(c(=O)n(C)c(=O)n2C)C1
InChIInChI=1S/C12H20N4O3/c1-14-10-9(11(17)15(2)12(14)18)7-16(8-13-10)5-4-6-19-3/h13H,4-8H2,1-3H3
InChIKeyCWBYWFNBBGGJJX-UHFFFAOYSA-N
MW268.32 g/mol
LogP-0.69
Rot. Bonds4

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

6-(3-methoxypropyl)-1,3-dimethyl-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione (PubChem CID 2024570) has the molecular formula C12H20N4O3 and a molecular weight of 268.32 g/mol. Its IUPAC name is 6-(3-methoxypropyl)-1,3-dimethyl-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-(3-methoxypropyl)-1,3-dimethyl-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione
PubChem CID2024570
Molecular FormulaC12H20N4O3
Molecular Weight268.32 g/mol
Exact Mass268.15
IUPAC Name6-(3-methoxypropyl)-1,3-dimethyl-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione
SMILESCOCCCN1CNc2c(c(=O)n(C)c(=O)n2C)C1
InChIInChI=1S/C12H20N4O3/c1-14-10-9(11(17)15(2)12(14)18)7-16(8-13-10)5-4-6-19-3/h13H,4-8H2,1-3H3
InChIKeyCWBYWFNBBGGJJX-UHFFFAOYSA-N
XLogP-0.69
TPSA68.50 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 5-0.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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-(2-piperazin-1-ylethyl)-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione
CID 707054
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

Frequently Asked Questions

What is the IUPAC name of 6-(3-methoxypropyl)-1,3-dimethyl-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione?
The IUPAC name of 6-(3-methoxypropyl)-1,3-dimethyl-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione (CID 2024570) is 6-(3-methoxypropyl)-1,3-dimethyl-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione.
What is the SMILES notation for 6-(3-methoxypropyl)-1,3-dimethyl-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione?
The canonical SMILES for 6-(3-methoxypropyl)-1,3-dimethyl-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione is COCCCN1CNc2c(c(=O)n(C)c(=O)n2C)C1.
What is the InChIKey of 6-(3-methoxypropyl)-1,3-dimethyl-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione?
The InChIKey is CWBYWFNBBGGJJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O3/c1-14-10-9(11(17)15(2)12(14)18)7-16(8-13-10)5-4-6-19-3/h13H,4-8H2,1-3H3.
What are the key properties of 6-(3-methoxypropyl)-1,3-dimethyl-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione?
6-(3-methoxypropyl)-1,3-dimethyl-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione has a molecular weight of 268.32 g/mol, XLogP of -0.69, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methoxypropyl)-1,3-dimethyl-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione is sourced from PubChem (CID 2024570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).