3-(2-cyclohexylethyl)-6-pyrimidin-5-yl-1H-quinazoline-2,4-dione

C20H22N4O2 — CID 118576599

IUPAC3-(2-cyclohexylethyl)-6-pyrimidin-5-yl-1H-quinazoline-2,4-dione
SMILESO=c1[nH]c2ccc(-c3cncnc3)cc2c(=O)n1CCC1CCCCC1
InChIInChI=1S/C20H22N4O2/c25-19-17-10-15(16-11-21-13-22-12-16)6-7-18(17)23-20(26)24(19)9-8-14-4-2-1-3-5-14/h6-7,10-14H,1-5,8-9H2,(H,23,26)
InChIKeyDVBHIUQADMBEPP-UHFFFAOYSA-N
MW350.42 g/mol
LogP3.12
Rot. Bonds4

About 3-(2-cyclohexylethyl)-6-pyrimidin-5-yl-1H-quinazoline-2,4-dione

3-(2-cyclohexylethyl)-6-pyrimidin-5-yl-1H-quinazoline-2,4-dione (PubChem CID 118576599) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is 3-(2-cyclohexylethyl)-6-pyrimidin-5-yl-1H-quinazoline-2,4-dione.

Molecular Properties

Compound Name3-(2-cyclohexylethyl)-6-pyrimidin-5-yl-1H-quinazoline-2,4-dione
PubChem CID118576599
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC Name3-(2-cyclohexylethyl)-6-pyrimidin-5-yl-1H-quinazoline-2,4-dione
SMILESO=c1[nH]c2ccc(-c3cncnc3)cc2c(=O)n1CCC1CCCCC1
InChIInChI=1S/C20H22N4O2/c25-19-17-10-15(16-11-21-13-22-12-16)6-7-18(17)23-20(26)24(19)9-8-14-4-2-1-3-5-14/h6-7,10-14H,1-5,8-9H2,(H,23,26)
InChIKeyDVBHIUQADMBEPP-UHFFFAOYSA-N
XLogP3.12
TPSA80.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2-cyclohexylethyl)-6-pyrimidin-5-yl-1H-quinazoline-2,4-dione?
The IUPAC name of 3-(2-cyclohexylethyl)-6-pyrimidin-5-yl-1H-quinazoline-2,4-dione (CID 118576599) is 3-(2-cyclohexylethyl)-6-pyrimidin-5-yl-1H-quinazoline-2,4-dione.
What is the SMILES notation for 3-(2-cyclohexylethyl)-6-pyrimidin-5-yl-1H-quinazoline-2,4-dione?
The canonical SMILES for 3-(2-cyclohexylethyl)-6-pyrimidin-5-yl-1H-quinazoline-2,4-dione is O=c1[nH]c2ccc(-c3cncnc3)cc2c(=O)n1CCC1CCCCC1.
What is the InChIKey of 3-(2-cyclohexylethyl)-6-pyrimidin-5-yl-1H-quinazoline-2,4-dione?
The InChIKey is DVBHIUQADMBEPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2/c25-19-17-10-15(16-11-21-13-22-12-16)6-7-18(17)23-20(26)24(19)9-8-14-4-2-1-3-5-14/h6-7,10-14H,1-5,8-9H2,(H,23,26).
What are the key properties of 3-(2-cyclohexylethyl)-6-pyrimidin-5-yl-1H-quinazoline-2,4-dione?
3-(2-cyclohexylethyl)-6-pyrimidin-5-yl-1H-quinazoline-2,4-dione has a molecular weight of 350.42 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-cyclohexylethyl)-6-pyrimidin-5-yl-1H-quinazoline-2,4-dione is sourced from PubChem (CID 118576599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).