1-cyclohexyl-5-(2-methylphenyl)pyrido[2,3-d]pyrimidine-2,4-dione

C20H21N3O2 — CID 17168589

IUPAC1-cyclohexyl-5-(2-methylphenyl)pyrido[2,3-d]pyrimidine-2,4-dione
SMILESCc1ccccc1-c1ccnc2c1c(=O)[nH]c(=O)n2C1CCCCC1
InChIInChI=1S/C20H21N3O2/c1-13-7-5-6-10-15(13)16-11-12-21-18-17(16)19(24)22-20(25)23(18)14-8-3-2-4-9-14/h5-7,10-12,14H,2-4,8-9H2,1H3,(H,22,24,25)
InChIKeyBQVFLKKERXVVSN-UHFFFAOYSA-N
MW335.41 g/mol
LogP3.57
Rot. Bonds2

About 1-cyclohexyl-5-(2-methylphenyl)pyrido[2,3-d]pyrimidine-2,4-dione

1-cyclohexyl-5-(2-methylphenyl)pyrido[2,3-d]pyrimidine-2,4-dione (PubChem CID 17168589) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is 1-cyclohexyl-5-(2-methylphenyl)pyrido[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-cyclohexyl-5-(2-methylphenyl)pyrido[2,3-d]pyrimidine-2,4-dione
PubChem CID17168589
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC Name1-cyclohexyl-5-(2-methylphenyl)pyrido[2,3-d]pyrimidine-2,4-dione
SMILESCc1ccccc1-c1ccnc2c1c(=O)[nH]c(=O)n2C1CCCCC1
InChIInChI=1S/C20H21N3O2/c1-13-7-5-6-10-15(13)16-11-12-21-18-17(16)19(24)22-20(25)23(18)14-8-3-2-4-9-14/h5-7,10-12,14H,2-4,8-9H2,1H3,(H,22,24,25)
InChIKeyBQVFLKKERXVVSN-UHFFFAOYSA-N
XLogP3.57
TPSA67.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-5-(2-methylphenyl)pyrido[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 1-cyclohexyl-5-(2-methylphenyl)pyrido[2,3-d]pyrimidine-2,4-dione (CID 17168589) is 1-cyclohexyl-5-(2-methylphenyl)pyrido[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 1-cyclohexyl-5-(2-methylphenyl)pyrido[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 1-cyclohexyl-5-(2-methylphenyl)pyrido[2,3-d]pyrimidine-2,4-dione is Cc1ccccc1-c1ccnc2c1c(=O)[nH]c(=O)n2C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-5-(2-methylphenyl)pyrido[2,3-d]pyrimidine-2,4-dione?
The InChIKey is BQVFLKKERXVVSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-13-7-5-6-10-15(13)16-11-12-21-18-17(16)19(24)22-20(25)23(18)14-8-3-2-4-9-14/h5-7,10-12,14H,2-4,8-9H2,1H3,(H,22,24,25).
What are the key properties of 1-cyclohexyl-5-(2-methylphenyl)pyrido[2,3-d]pyrimidine-2,4-dione?
1-cyclohexyl-5-(2-methylphenyl)pyrido[2,3-d]pyrimidine-2,4-dione has a molecular weight of 335.41 g/mol, XLogP of 3.57, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-5-(2-methylphenyl)pyrido[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 17168589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).