2-[6-amino-1-(3-methylphenyl)-4-oxopyrimidin-2-yl]sulfanyl-N-cyclohexylacetamide

C19H24N4O2S — CID 2171845

IUPAC2-[6-amino-1-(3-methylphenyl)-4-oxopyrimidin-2-yl]sulfanyl-N-cyclohexylacetamide
SMILESCc1cccc(-n2c(N)cc(=O)nc2SCC(=O)NC2CCCCC2)c1
InChIInChI=1S/C19H24N4O2S/c1-13-6-5-9-15(10-13)23-16(20)11-17(24)22-19(23)26-12-18(25)21-14-7-3-2-4-8-14/h5-6,9-11,14H,2-4,7-8,12,20H2,1H3,(H,21,25)
InChIKeyZQNOGHQHFRLBCE-UHFFFAOYSA-N
MW372.49 g/mol
LogP2.66
Rot. Bonds5

About 2-[6-amino-1-(3-methylphenyl)-4-oxopyrimidin-2-yl]sulfanyl-N-cyclohexylacetamide

2-[6-amino-1-(3-methylphenyl)-4-oxopyrimidin-2-yl]sulfanyl-N-cyclohexylacetamide (PubChem CID 2171845) has the molecular formula C19H24N4O2S and a molecular weight of 372.49 g/mol. Its IUPAC name is 2-[6-amino-1-(3-methylphenyl)-4-oxopyrimidin-2-yl]sulfanyl-N-cyclohexylacetamide.

Molecular Properties

Compound Name2-[6-amino-1-(3-methylphenyl)-4-oxopyrimidin-2-yl]sulfanyl-N-cyclohexylacetamide
PubChem CID2171845
Molecular FormulaC19H24N4O2S
Molecular Weight372.49 g/mol
Exact Mass372.16
IUPAC Name2-[6-amino-1-(3-methylphenyl)-4-oxopyrimidin-2-yl]sulfanyl-N-cyclohexylacetamide
SMILESCc1cccc(-n2c(N)cc(=O)nc2SCC(=O)NC2CCCCC2)c1
InChIInChI=1S/C19H24N4O2S/c1-13-6-5-9-15(10-13)23-16(20)11-17(24)22-19(23)26-12-18(25)21-14-7-3-2-4-8-14/h5-6,9-11,14H,2-4,7-8,12,20H2,1H3,(H,21,25)
InChIKeyZQNOGHQHFRLBCE-UHFFFAOYSA-N
XLogP2.66
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[6-amino-1-(3-methylphenyl)-4-oxopyrimidin-2-yl]sulfanyl-N-cyclohexylacetamide?
The IUPAC name of 2-[6-amino-1-(3-methylphenyl)-4-oxopyrimidin-2-yl]sulfanyl-N-cyclohexylacetamide (CID 2171845) is 2-[6-amino-1-(3-methylphenyl)-4-oxopyrimidin-2-yl]sulfanyl-N-cyclohexylacetamide.
What is the SMILES notation for 2-[6-amino-1-(3-methylphenyl)-4-oxopyrimidin-2-yl]sulfanyl-N-cyclohexylacetamide?
The canonical SMILES for 2-[6-amino-1-(3-methylphenyl)-4-oxopyrimidin-2-yl]sulfanyl-N-cyclohexylacetamide is Cc1cccc(-n2c(N)cc(=O)nc2SCC(=O)NC2CCCCC2)c1.
What is the InChIKey of 2-[6-amino-1-(3-methylphenyl)-4-oxopyrimidin-2-yl]sulfanyl-N-cyclohexylacetamide?
The InChIKey is ZQNOGHQHFRLBCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2S/c1-13-6-5-9-15(10-13)23-16(20)11-17(24)22-19(23)26-12-18(25)21-14-7-3-2-4-8-14/h5-6,9-11,14H,2-4,7-8,12,20H2,1H3,(H,21,25).
What are the key properties of 2-[6-amino-1-(3-methylphenyl)-4-oxopyrimidin-2-yl]sulfanyl-N-cyclohexylacetamide?
2-[6-amino-1-(3-methylphenyl)-4-oxopyrimidin-2-yl]sulfanyl-N-cyclohexylacetamide has a molecular weight of 372.49 g/mol, XLogP of 2.66, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-amino-1-(3-methylphenyl)-4-oxopyrimidin-2-yl]sulfanyl-N-cyclohexylacetamide is sourced from PubChem (CID 2171845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).