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

C15H25N5O3 — CID 667038

IUPAC1,3-dimethyl-6-(3-morpholin-4-ylpropyl)-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione
SMILESCn1c2c(c(=O)n(C)c1=O)CN(CCCN1CCOCC1)CN2
InChIInChI=1S/C15H25N5O3/c1-17-13-12(14(21)18(2)15(17)22)10-20(11-16-13)5-3-4-19-6-8-23-9-7-19/h16H,3-11H2,1-2H3
InChIKeyACPWKJIUUOAQNT-UHFFFAOYSA-N
MW323.40 g/mol
LogP-1.01
Rot. Bonds4

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

1,3-dimethyl-6-(3-morpholin-4-ylpropyl)-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione (PubChem CID 667038) has the molecular formula C15H25N5O3 and a molecular weight of 323.40 g/mol. Its IUPAC name is 1,3-dimethyl-6-(3-morpholin-4-ylpropyl)-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1,3-dimethyl-6-(3-morpholin-4-ylpropyl)-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione
PubChem CID667038
Molecular FormulaC15H25N5O3
Molecular Weight323.40 g/mol
Exact Mass323.20
IUPAC Name1,3-dimethyl-6-(3-morpholin-4-ylpropyl)-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione
SMILESCn1c2c(c(=O)n(C)c1=O)CN(CCCN1CCOCC1)CN2
InChIInChI=1S/C15H25N5O3/c1-17-13-12(14(21)18(2)15(17)22)10-20(11-16-13)5-3-4-19-6-8-23-9-7-19/h16H,3-11H2,1-2H3
InChIKeyACPWKJIUUOAQNT-UHFFFAOYSA-N
XLogP-1.01
TPSA71.74 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 5-1.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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

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Related Compounds

1,3-dimethyl-6-(2-piperazin-1-ylethyl)-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione
CID 707054
2-Mercapto-6-(3-(4-morpholinyl)propyl)-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-ol
CID 3003818
Pyrimido(4,5-d)pyrimidine-2,4(1H,3H)-dione, 5,6,7,8-tetrahydro-1,3-dimethyl-6-ethyl-
CID 3048965
1,3-dimethyl-6-(2-morpholin-4-ylethyl)-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione
CID 672080
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
5,6,8,9-Tetrahydro-4h,7h-2,5,6a,8,9a-pentaazaphenalene-1,3-dione
CID 129864433
6-Amino-1,3-dimethyl-5-(morpholine-4-carbothioyl)pyrimidine-2,4-dione
CID 332085
6-(3-methoxypropyl)-1,3-dimethyl-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione
CID 2024570
6-(2-hydroxyethyl)-1,3-dimethyl-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione
CID 2738044
methyl 2-{6,8-dimethyl-5,7-dioxo-1H,2H,3H,4H,5H,6H,7H,8H-[1,3]diazino[4,5-d]pyrimidin-3-yl}acetate
CID 20866970
6-(3-Ethoxypropyl)-1,3-dimethyl-1H,2H,3H,4H,5H,6H,7H,8H-[1,3]diazino[4,5-D]pyrimidine-2,4-dione
CID 20866984

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-6-(3-morpholin-4-ylpropyl)-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione?
The IUPAC name of 1,3-dimethyl-6-(3-morpholin-4-ylpropyl)-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione (CID 667038) is 1,3-dimethyl-6-(3-morpholin-4-ylpropyl)-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione.
What is the SMILES notation for 1,3-dimethyl-6-(3-morpholin-4-ylpropyl)-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione?
The canonical SMILES for 1,3-dimethyl-6-(3-morpholin-4-ylpropyl)-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione is Cn1c2c(c(=O)n(C)c1=O)CN(CCCN1CCOCC1)CN2.
What is the InChIKey of 1,3-dimethyl-6-(3-morpholin-4-ylpropyl)-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione?
The InChIKey is ACPWKJIUUOAQNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5O3/c1-17-13-12(14(21)18(2)15(17)22)10-20(11-16-13)5-3-4-19-6-8-23-9-7-19/h16H,3-11H2,1-2H3.
What are the key properties of 1,3-dimethyl-6-(3-morpholin-4-ylpropyl)-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione?
1,3-dimethyl-6-(3-morpholin-4-ylpropyl)-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione has a molecular weight of 323.40 g/mol, XLogP of -1.01, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-6-(3-morpholin-4-ylpropyl)-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione is sourced from PubChem (CID 667038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).