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

C14H24N6O2 — CID 707054

IUPAC1,3-dimethyl-6-(2-piperazin-1-ylethyl)-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione
SMILESCn1c2c(c(=O)n(C)c1=O)CN(CCN1CCNCC1)CN2
InChIInChI=1S/C14H24N6O2/c1-17-12-11(13(21)18(2)14(17)22)9-20(10-16-12)8-7-19-5-3-15-4-6-19/h15-16H,3-10H2,1-2H3
InChIKeyPERKQRIVWKEKQF-UHFFFAOYSA-N
MW308.39 g/mol
LogP-1.83
Rot. Bonds3

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

1,3-dimethyl-6-(2-piperazin-1-ylethyl)-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione (PubChem CID 707054) has the molecular formula C14H24N6O2 and a molecular weight of 308.39 g/mol. Its IUPAC name is 1,3-dimethyl-6-(2-piperazin-1-ylethyl)-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1,3-dimethyl-6-(2-piperazin-1-ylethyl)-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione
PubChem CID707054
Molecular FormulaC14H24N6O2
Molecular Weight308.39 g/mol
Exact Mass308.20
IUPAC Name1,3-dimethyl-6-(2-piperazin-1-ylethyl)-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione
SMILESCn1c2c(c(=O)n(C)c1=O)CN(CCN1CCNCC1)CN2
InChIInChI=1S/C14H24N6O2/c1-17-12-11(13(21)18(2)14(17)22)9-20(10-16-12)8-7-19-5-3-15-4-6-19/h15-16H,3-10H2,1-2H3
InChIKeyPERKQRIVWKEKQF-UHFFFAOYSA-N
XLogP-1.83
TPSA74.54 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.39
LogP ≤ 5-1.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-6-(2-piperazin-1-ylethyl)-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione?
The IUPAC name of 1,3-dimethyl-6-(2-piperazin-1-ylethyl)-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione (CID 707054) is 1,3-dimethyl-6-(2-piperazin-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-piperazin-1-ylethyl)-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione?
The canonical SMILES for 1,3-dimethyl-6-(2-piperazin-1-ylethyl)-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione is Cn1c2c(c(=O)n(C)c1=O)CN(CCN1CCNCC1)CN2.
What is the InChIKey of 1,3-dimethyl-6-(2-piperazin-1-ylethyl)-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione?
The InChIKey is PERKQRIVWKEKQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N6O2/c1-17-12-11(13(21)18(2)14(17)22)9-20(10-16-12)8-7-19-5-3-15-4-6-19/h15-16H,3-10H2,1-2H3.
What are the key properties of 1,3-dimethyl-6-(2-piperazin-1-ylethyl)-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione?
1,3-dimethyl-6-(2-piperazin-1-ylethyl)-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione has a molecular weight of 308.39 g/mol, XLogP of -1.83, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-6-(2-piperazin-1-ylethyl)-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione is sourced from PubChem (CID 707054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).