3-cyclohexyl-6-(3,4-dimethylanilino)-1H-pyrimidine-2,4-dione

C18H23N3O2 — CID 3237829

IUPAC3-cyclohexyl-6-(3,4-dimethylanilino)-1H-pyrimidine-2,4-dione
SMILESCc1ccc(Nc2cc(=O)n(C3CCCCC3)c(=O)[nH]2)cc1C
InChIInChI=1S/C18H23N3O2/c1-12-8-9-14(10-13(12)2)19-16-11-17(22)21(18(23)20-16)15-6-4-3-5-7-15/h8-11,15,19H,3-7H2,1-2H3,(H,20,23)
InChIKeyPRDQETVZSGJCKK-UHFFFAOYSA-N
MW313.40 g/mol
LogP3.40
Rot. Bonds3

About 3-cyclohexyl-6-(3,4-dimethylanilino)-1H-pyrimidine-2,4-dione

3-cyclohexyl-6-(3,4-dimethylanilino)-1H-pyrimidine-2,4-dione (PubChem CID 3237829) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is 3-cyclohexyl-6-(3,4-dimethylanilino)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-cyclohexyl-6-(3,4-dimethylanilino)-1H-pyrimidine-2,4-dione
PubChem CID3237829
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Name3-cyclohexyl-6-(3,4-dimethylanilino)-1H-pyrimidine-2,4-dione
SMILESCc1ccc(Nc2cc(=O)n(C3CCCCC3)c(=O)[nH]2)cc1C
InChIInChI=1S/C18H23N3O2/c1-12-8-9-14(10-13(12)2)19-16-11-17(22)21(18(23)20-16)15-6-4-3-5-7-15/h8-11,15,19H,3-7H2,1-2H3,(H,20,23)
InChIKeyPRDQETVZSGJCKK-UHFFFAOYSA-N
XLogP3.40
TPSA66.89 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Atglistatin
CID 71699712
6-(3,4-dimethylanilino)-1H-pyrimidine-2,4-dione
CID 737912
N-((Acetylamino)(4-(dimethylamino)phenyl)methyl)acetamide
CID 853046
1,1-Dibenzyl-3-(M-tolyl)urea
CID 3404984
3-(4-Hydroxybutyl)-6-(3-ethyl-4-methylanilino)uracil
CID 10448521
1-(1-Propionylpiperidin-4-yl)-3-m-tolylurea
CID 49782798
1-(1-Propionylpiperidin-4-yl)-3-p-tolylurea
CID 49782799
3-cyclohexyl-6-(4-(3-(trifluoromethyl)phenyl)piperazin-1-yl)pyrimidine-2,4(1H,3H)-dione
CID 45100448
6-amino-5-bromo-1-(3,4-dimethylphenyl)-2,4(1H,3H)-pyrimidinedione
CID 1250749
6-(3-Ethyl-4-methyl-phenylamino)-3-(3-hydroxy-propyl)-1H-pyrimidine-2,4-dione
CID 509278
N-(2,3-dimethylphenyl)-3,4-dihydroisoquinoline-2(1H)-carboxamide
CID 3840885
1,1-Dibutyl-3-(3,4-dimethylphenyl)urea
CID 3456501

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-6-(3,4-dimethylanilino)-1H-pyrimidine-2,4-dione?
The IUPAC name of 3-cyclohexyl-6-(3,4-dimethylanilino)-1H-pyrimidine-2,4-dione (CID 3237829) is 3-cyclohexyl-6-(3,4-dimethylanilino)-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 3-cyclohexyl-6-(3,4-dimethylanilino)-1H-pyrimidine-2,4-dione?
The canonical SMILES for 3-cyclohexyl-6-(3,4-dimethylanilino)-1H-pyrimidine-2,4-dione is Cc1ccc(Nc2cc(=O)n(C3CCCCC3)c(=O)[nH]2)cc1C.
What is the InChIKey of 3-cyclohexyl-6-(3,4-dimethylanilino)-1H-pyrimidine-2,4-dione?
The InChIKey is PRDQETVZSGJCKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-12-8-9-14(10-13(12)2)19-16-11-17(22)21(18(23)20-16)15-6-4-3-5-7-15/h8-11,15,19H,3-7H2,1-2H3,(H,20,23).
What are the key properties of 3-cyclohexyl-6-(3,4-dimethylanilino)-1H-pyrimidine-2,4-dione?
3-cyclohexyl-6-(3,4-dimethylanilino)-1H-pyrimidine-2,4-dione has a molecular weight of 313.40 g/mol, XLogP of 3.40, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-6-(3,4-dimethylanilino)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 3237829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).