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

C15H25N5O2 — CID 20866981

IUPAC1,3-dimethyl-6-(2-piperidin-1-ylethyl)-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione
SMILESCn1c2c(c(=O)n(C)c1=O)CN(CCN1CCCCC1)CN2
InChIInChI=1S/C15H25N5O2/c1-17-13-12(14(21)18(2)15(17)22)10-20(11-16-13)9-8-19-6-4-3-5-7-19/h16H,3-11H2,1-2H3
InChIKeyXUOVBOJOIMFSBP-UHFFFAOYSA-N
MW307.40 g/mol
LogP-0.25
Rot. Bonds3

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

1,3-dimethyl-6-(2-piperidin-1-ylethyl)-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione (PubChem CID 20866981) has the molecular formula C15H25N5O2 and a molecular weight of 307.40 g/mol. Its IUPAC name is 1,3-dimethyl-6-(2-piperidin-1-ylethyl)-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1,3-dimethyl-6-(2-piperidin-1-ylethyl)-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione
PubChem CID20866981
Molecular FormulaC15H25N5O2
Molecular Weight307.40 g/mol
Exact Mass307.20
IUPAC Name1,3-dimethyl-6-(2-piperidin-1-ylethyl)-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione
SMILESCn1c2c(c(=O)n(C)c1=O)CN(CCN1CCCCC1)CN2
InChIInChI=1S/C15H25N5O2/c1-17-13-12(14(21)18(2)15(17)22)10-20(11-16-13)9-8-19-6-4-3-5-7-19/h16H,3-11H2,1-2H3
InChIKeyXUOVBOJOIMFSBP-UHFFFAOYSA-N
XLogP-0.25
TPSA62.51 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 5-0.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-6-(2-piperidin-1-ylethyl)-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione?
The IUPAC name of 1,3-dimethyl-6-(2-piperidin-1-ylethyl)-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione (CID 20866981) is 1,3-dimethyl-6-(2-piperidin-1-ylethyl)-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione.
What is the SMILES notation for 1,3-dimethyl-6-(2-piperidin-1-ylethyl)-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione?
The canonical SMILES for 1,3-dimethyl-6-(2-piperidin-1-ylethyl)-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione is Cn1c2c(c(=O)n(C)c1=O)CN(CCN1CCCCC1)CN2.
What is the InChIKey of 1,3-dimethyl-6-(2-piperidin-1-ylethyl)-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione?
The InChIKey is XUOVBOJOIMFSBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5O2/c1-17-13-12(14(21)18(2)15(17)22)10-20(11-16-13)9-8-19-6-4-3-5-7-19/h16H,3-11H2,1-2H3.
What are the key properties of 1,3-dimethyl-6-(2-piperidin-1-ylethyl)-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione?
1,3-dimethyl-6-(2-piperidin-1-ylethyl)-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione has a molecular weight of 307.40 g/mol, XLogP of -0.25, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-6-(2-piperidin-1-ylethyl)-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione is sourced from PubChem (CID 20866981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).