1-[(2-chlorophenyl)methyl]-6-cyclohexyl-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione

C19H23ClN4O2 — CID 7711053

IUPAC1-[(2-chlorophenyl)methyl]-6-cyclohexyl-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n(Cc2ccccc2Cl)c2c1CN(C1CCCCC1)CN2
InChIInChI=1S/C19H23ClN4O2/c20-16-9-5-4-6-13(16)10-24-17-15(18(25)22-19(24)26)11-23(12-21-17)14-7-2-1-3-8-14/h4-6,9,14,21H,1-3,7-8,10-12H2,(H,22,25,26)
InChIKeyBUICPCPPHNIRFJ-UHFFFAOYSA-N
MW374.87 g/mol
LogP2.76
Rot. Bonds3

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

1-[(2-chlorophenyl)methyl]-6-cyclohexyl-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione (PubChem CID 7711053) has the molecular formula C19H23ClN4O2 and a molecular weight of 374.87 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)methyl]-6-cyclohexyl-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[(2-chlorophenyl)methyl]-6-cyclohexyl-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione
PubChem CID7711053
Molecular FormulaC19H23ClN4O2
Molecular Weight374.87 g/mol
Exact Mass374.15
IUPAC Name1-[(2-chlorophenyl)methyl]-6-cyclohexyl-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n(Cc2ccccc2Cl)c2c1CN(C1CCCCC1)CN2
InChIInChI=1S/C19H23ClN4O2/c20-16-9-5-4-6-13(16)10-24-17-15(18(25)22-19(24)26)11-23(12-21-17)14-7-2-1-3-8-14/h4-6,9,14,21H,1-3,7-8,10-12H2,(H,22,25,26)
InChIKeyBUICPCPPHNIRFJ-UHFFFAOYSA-N
XLogP2.76
TPSA70.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.87
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorophenyl)methyl]-6-cyclohexyl-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione?
The IUPAC name of 1-[(2-chlorophenyl)methyl]-6-cyclohexyl-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione (CID 7711053) is 1-[(2-chlorophenyl)methyl]-6-cyclohexyl-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione.
What is the SMILES notation for 1-[(2-chlorophenyl)methyl]-6-cyclohexyl-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione?
The canonical SMILES for 1-[(2-chlorophenyl)methyl]-6-cyclohexyl-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione is O=c1[nH]c(=O)n(Cc2ccccc2Cl)c2c1CN(C1CCCCC1)CN2.
What is the InChIKey of 1-[(2-chlorophenyl)methyl]-6-cyclohexyl-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione?
The InChIKey is BUICPCPPHNIRFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN4O2/c20-16-9-5-4-6-13(16)10-24-17-15(18(25)22-19(24)26)11-23(12-21-17)14-7-2-1-3-8-14/h4-6,9,14,21H,1-3,7-8,10-12H2,(H,22,25,26).
What are the key properties of 1-[(2-chlorophenyl)methyl]-6-cyclohexyl-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione?
1-[(2-chlorophenyl)methyl]-6-cyclohexyl-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione has a molecular weight of 374.87 g/mol, XLogP of 2.76, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chlorophenyl)methyl]-6-cyclohexyl-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione is sourced from PubChem (CID 7711053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).