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

C22H24N4O2 — CID 7710968

IUPAC6-[(1S)-1-phenylethyl]-1-(2-phenylethyl)-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione
SMILESC[C@@H](c1ccccc1)N1CNc2c(c(=O)[nH]c(=O)n2CCc2ccccc2)C1
InChIInChI=1S/C22H24N4O2/c1-16(18-10-6-3-7-11-18)25-14-19-20(23-15-25)26(22(28)24-21(19)27)13-12-17-8-4-2-5-9-17/h2-11,16,23H,12-15H2,1H3,(H,24,27,28)/t16-/m0/s1
InChIKeyJNPLFIHBGLMUDO-INIZCTEOSA-N
MW376.46 g/mol
LogP2.73
Rot. Bonds5

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

6-[(1S)-1-phenylethyl]-1-(2-phenylethyl)-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione (PubChem CID 7710968) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is 6-[(1S)-1-phenylethyl]-1-(2-phenylethyl)-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-[(1S)-1-phenylethyl]-1-(2-phenylethyl)-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione
PubChem CID7710968
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC Name6-[(1S)-1-phenylethyl]-1-(2-phenylethyl)-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione
SMILESC[C@@H](c1ccccc1)N1CNc2c(c(=O)[nH]c(=O)n2CCc2ccccc2)C1
InChIInChI=1S/C22H24N4O2/c1-16(18-10-6-3-7-11-18)25-14-19-20(23-15-25)26(22(28)24-21(19)27)13-12-17-8-4-2-5-9-17/h2-11,16,23H,12-15H2,1H3,(H,24,27,28)/t16-/m0/s1
InChIKeyJNPLFIHBGLMUDO-INIZCTEOSA-N
XLogP2.73
TPSA70.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-[(1S)-1-phenylethyl]-1-(2-phenylethyl)-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

Frequently Asked Questions

What is the IUPAC name of 6-[(1S)-1-phenylethyl]-1-(2-phenylethyl)-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione?
The IUPAC name of 6-[(1S)-1-phenylethyl]-1-(2-phenylethyl)-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione (CID 7710968) is 6-[(1S)-1-phenylethyl]-1-(2-phenylethyl)-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione.
What is the SMILES notation for 6-[(1S)-1-phenylethyl]-1-(2-phenylethyl)-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione?
The canonical SMILES for 6-[(1S)-1-phenylethyl]-1-(2-phenylethyl)-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione is C[C@@H](c1ccccc1)N1CNc2c(c(=O)[nH]c(=O)n2CCc2ccccc2)C1.
What is the InChIKey of 6-[(1S)-1-phenylethyl]-1-(2-phenylethyl)-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione?
The InChIKey is JNPLFIHBGLMUDO-INIZCTEOSA-N. The full InChI is InChI=1S/C22H24N4O2/c1-16(18-10-6-3-7-11-18)25-14-19-20(23-15-25)26(22(28)24-21(19)27)13-12-17-8-4-2-5-9-17/h2-11,16,23H,12-15H2,1H3,(H,24,27,28)/t16-/m0/s1.
What are the key properties of 6-[(1S)-1-phenylethyl]-1-(2-phenylethyl)-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione?
6-[(1S)-1-phenylethyl]-1-(2-phenylethyl)-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione has a molecular weight of 376.46 g/mol, XLogP of 2.73, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1S)-1-phenylethyl]-1-(2-phenylethyl)-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione is sourced from PubChem (CID 7710968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).