N,N-dicyclohexyl-2-[4-hydroxy-1-(2-methylpropyl)-6-oxopyrimidin-2-yl]sulfanylacetamide

C22H35N3O3S — CID 135891108

IUPACN,N-dicyclohexyl-2-[4-hydroxy-1-(2-methylpropyl)-6-oxopyrimidin-2-yl]sulfanylacetamide
SMILESCC(C)Cn1c(SCC(=O)N(C2CCCCC2)C2CCCCC2)nc(O)cc1=O
InChIInChI=1S/C22H35N3O3S/c1-16(2)14-24-20(27)13-19(26)23-22(24)29-15-21(28)25(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h13,16-18,26H,3-12,14-15H2,1-2H3
InChIKeyVCWNQDSWHYXBCH-UHFFFAOYSA-N
MW421.61 g/mol
LogP4.19
Rot. Bonds7

About N,N-dicyclohexyl-2-[4-hydroxy-1-(2-methylpropyl)-6-oxopyrimidin-2-yl]sulfanylacetamide

N,N-dicyclohexyl-2-[4-hydroxy-1-(2-methylpropyl)-6-oxopyrimidin-2-yl]sulfanylacetamide (PubChem CID 135891108) has the molecular formula C22H35N3O3S and a molecular weight of 421.61 g/mol. Its IUPAC name is N,N-dicyclohexyl-2-[4-hydroxy-1-(2-methylpropyl)-6-oxopyrimidin-2-yl]sulfanylacetamide.

Molecular Properties

Compound NameN,N-dicyclohexyl-2-[4-hydroxy-1-(2-methylpropyl)-6-oxopyrimidin-2-yl]sulfanylacetamide
PubChem CID135891108
Molecular FormulaC22H35N3O3S
Molecular Weight421.61 g/mol
Exact Mass421.24
IUPAC NameN,N-dicyclohexyl-2-[4-hydroxy-1-(2-methylpropyl)-6-oxopyrimidin-2-yl]sulfanylacetamide
SMILESCC(C)Cn1c(SCC(=O)N(C2CCCCC2)C2CCCCC2)nc(O)cc1=O
InChIInChI=1S/C22H35N3O3S/c1-16(2)14-24-20(27)13-19(26)23-22(24)29-15-21(28)25(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h13,16-18,26H,3-12,14-15H2,1-2H3
InChIKeyVCWNQDSWHYXBCH-UHFFFAOYSA-N
XLogP4.19
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.61
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,N-dicyclohexyl-2-[4-hydroxy-1-(2-methylpropyl)-6-oxopyrimidin-2-yl]sulfanylacetamide?
The IUPAC name of N,N-dicyclohexyl-2-[4-hydroxy-1-(2-methylpropyl)-6-oxopyrimidin-2-yl]sulfanylacetamide (CID 135891108) is N,N-dicyclohexyl-2-[4-hydroxy-1-(2-methylpropyl)-6-oxopyrimidin-2-yl]sulfanylacetamide.
What is the SMILES notation for N,N-dicyclohexyl-2-[4-hydroxy-1-(2-methylpropyl)-6-oxopyrimidin-2-yl]sulfanylacetamide?
The canonical SMILES for N,N-dicyclohexyl-2-[4-hydroxy-1-(2-methylpropyl)-6-oxopyrimidin-2-yl]sulfanylacetamide is CC(C)Cn1c(SCC(=O)N(C2CCCCC2)C2CCCCC2)nc(O)cc1=O.
What is the InChIKey of N,N-dicyclohexyl-2-[4-hydroxy-1-(2-methylpropyl)-6-oxopyrimidin-2-yl]sulfanylacetamide?
The InChIKey is VCWNQDSWHYXBCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35N3O3S/c1-16(2)14-24-20(27)13-19(26)23-22(24)29-15-21(28)25(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h13,16-18,26H,3-12,14-15H2,1-2H3.
What are the key properties of N,N-dicyclohexyl-2-[4-hydroxy-1-(2-methylpropyl)-6-oxopyrimidin-2-yl]sulfanylacetamide?
N,N-dicyclohexyl-2-[4-hydroxy-1-(2-methylpropyl)-6-oxopyrimidin-2-yl]sulfanylacetamide has a molecular weight of 421.61 g/mol, XLogP of 4.19, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dicyclohexyl-2-[4-hydroxy-1-(2-methylpropyl)-6-oxopyrimidin-2-yl]sulfanylacetamide is sourced from PubChem (CID 135891108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).