6-[(2R)-butan-2-yl]-1-(2-methylphenyl)-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione

C17H22N4O2 — CID 7660222

IUPAC6-[(2R)-butan-2-yl]-1-(2-methylphenyl)-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione
SMILESCC[C@@H](C)N1CNc2c(c(=O)[nH]c(=O)n2-c2ccccc2C)C1
InChIInChI=1S/C17H22N4O2/c1-4-12(3)20-9-13-15(18-10-20)21(17(23)19-16(13)22)14-8-6-5-7-11(14)2/h5-8,12,18H,4,9-10H2,1-3H3,(H,19,22,23)/t12-/m1/s1
InChIKeyULSCUCQVDRCPNV-GFCCVEGCSA-N
MW314.39 g/mol
LogP1.82
Rot. Bonds3

About 6-[(2R)-butan-2-yl]-1-(2-methylphenyl)-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione

6-[(2R)-butan-2-yl]-1-(2-methylphenyl)-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione (PubChem CID 7660222) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is 6-[(2R)-butan-2-yl]-1-(2-methylphenyl)-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-[(2R)-butan-2-yl]-1-(2-methylphenyl)-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione
PubChem CID7660222
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC Name6-[(2R)-butan-2-yl]-1-(2-methylphenyl)-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione
SMILESCC[C@@H](C)N1CNc2c(c(=O)[nH]c(=O)n2-c2ccccc2C)C1
InChIInChI=1S/C17H22N4O2/c1-4-12(3)20-9-13-15(18-10-20)21(17(23)19-16(13)22)14-8-6-5-7-11(14)2/h5-8,12,18H,4,9-10H2,1-3H3,(H,19,22,23)/t12-/m1/s1
InChIKeyULSCUCQVDRCPNV-GFCCVEGCSA-N
XLogP1.82
TPSA70.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-[(2R)-butan-2-yl]-1-(2-methylphenyl)-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-[(2R)-butan-2-yl]-1-(2-methylphenyl)-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione?
The IUPAC name of 6-[(2R)-butan-2-yl]-1-(2-methylphenyl)-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione (CID 7660222) is 6-[(2R)-butan-2-yl]-1-(2-methylphenyl)-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione.
What is the SMILES notation for 6-[(2R)-butan-2-yl]-1-(2-methylphenyl)-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione?
The canonical SMILES for 6-[(2R)-butan-2-yl]-1-(2-methylphenyl)-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione is CC[C@@H](C)N1CNc2c(c(=O)[nH]c(=O)n2-c2ccccc2C)C1.
What is the InChIKey of 6-[(2R)-butan-2-yl]-1-(2-methylphenyl)-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione?
The InChIKey is ULSCUCQVDRCPNV-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-4-12(3)20-9-13-15(18-10-20)21(17(23)19-16(13)22)14-8-6-5-7-11(14)2/h5-8,12,18H,4,9-10H2,1-3H3,(H,19,22,23)/t12-/m1/s1.
What are the key properties of 6-[(2R)-butan-2-yl]-1-(2-methylphenyl)-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione?
6-[(2R)-butan-2-yl]-1-(2-methylphenyl)-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione has a molecular weight of 314.39 g/mol, XLogP of 1.82, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2R)-butan-2-yl]-1-(2-methylphenyl)-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione is sourced from PubChem (CID 7660222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).