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

C16H20N4O2 — CID 2926550

IUPAC1,3-dimethyl-6-(1-phenylethyl)-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione
SMILESCC(c1ccccc1)N1CNc2c(c(=O)n(C)c(=O)n2C)C1
InChIInChI=1S/C16H20N4O2/c1-11(12-7-5-4-6-8-12)20-9-13-14(17-10-20)18(2)16(22)19(3)15(13)21/h4-8,11,17H,9-10H2,1-3H3
InChIKeyPSIVBTHRRPRTQV-UHFFFAOYSA-N
MW300.36 g/mol
LogP1.03
Rot. Bonds2

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

1,3-dimethyl-6-(1-phenylethyl)-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione (PubChem CID 2926550) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is 1,3-dimethyl-6-(1-phenylethyl)-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1,3-dimethyl-6-(1-phenylethyl)-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione
PubChem CID2926550
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC Name1,3-dimethyl-6-(1-phenylethyl)-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione
SMILESCC(c1ccccc1)N1CNc2c(c(=O)n(C)c(=O)n2C)C1
InChIInChI=1S/C16H20N4O2/c1-11(12-7-5-4-6-8-12)20-9-13-14(17-10-20)18(2)16(22)19(3)15(13)21/h4-8,11,17H,9-10H2,1-3H3
InChIKeyPSIVBTHRRPRTQV-UHFFFAOYSA-N
XLogP1.03
TPSA59.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-6-(1-phenylethyl)-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione?
The IUPAC name of 1,3-dimethyl-6-(1-phenylethyl)-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione (CID 2926550) is 1,3-dimethyl-6-(1-phenylethyl)-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione.
What is the SMILES notation for 1,3-dimethyl-6-(1-phenylethyl)-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione?
The canonical SMILES for 1,3-dimethyl-6-(1-phenylethyl)-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione is CC(c1ccccc1)N1CNc2c(c(=O)n(C)c(=O)n2C)C1.
What is the InChIKey of 1,3-dimethyl-6-(1-phenylethyl)-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione?
The InChIKey is PSIVBTHRRPRTQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2/c1-11(12-7-5-4-6-8-12)20-9-13-14(17-10-20)18(2)16(22)19(3)15(13)21/h4-8,11,17H,9-10H2,1-3H3.
What are the key properties of 1,3-dimethyl-6-(1-phenylethyl)-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione?
1,3-dimethyl-6-(1-phenylethyl)-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione has a molecular weight of 300.36 g/mol, XLogP of 1.03, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-6-(1-phenylethyl)-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione is sourced from PubChem (CID 2926550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).