2-cyclohexyl-N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]acetamide

C16H25N3O2 — CID 121120622

IUPAC2-cyclohexyl-N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]acetamide
SMILESCc1ncn(CCNC(=O)CC2CCCCC2)c(=O)c1C
InChIInChI=1S/C16H25N3O2/c1-12-13(2)18-11-19(16(12)21)9-8-17-15(20)10-14-6-4-3-5-7-14/h11,14H,3-10H2,1-2H3,(H,17,20)
InChIKeyTWZCAANHKKVPTH-UHFFFAOYSA-N
MW291.39 g/mol
LogP1.95
Rot. Bonds5

About 2-cyclohexyl-N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]acetamide

2-cyclohexyl-N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]acetamide (PubChem CID 121120622) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is 2-cyclohexyl-N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-cyclohexyl-N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]acetamide
PubChem CID121120622
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC Name2-cyclohexyl-N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]acetamide
SMILESCc1ncn(CCNC(=O)CC2CCCCC2)c(=O)c1C
InChIInChI=1S/C16H25N3O2/c1-12-13(2)18-11-19(16(12)21)9-8-17-15(20)10-14-6-4-3-5-7-14/h11,14H,3-10H2,1-2H3,(H,17,20)
InChIKeyTWZCAANHKKVPTH-UHFFFAOYSA-N
XLogP1.95
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]acetamide?
The IUPAC name of 2-cyclohexyl-N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]acetamide (CID 121120622) is 2-cyclohexyl-N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]acetamide.
What is the SMILES notation for 2-cyclohexyl-N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]acetamide?
The canonical SMILES for 2-cyclohexyl-N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]acetamide is Cc1ncn(CCNC(=O)CC2CCCCC2)c(=O)c1C.
What is the InChIKey of 2-cyclohexyl-N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]acetamide?
The InChIKey is TWZCAANHKKVPTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-12-13(2)18-11-19(16(12)21)9-8-17-15(20)10-14-6-4-3-5-7-14/h11,14H,3-10H2,1-2H3,(H,17,20).
What are the key properties of 2-cyclohexyl-N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]acetamide?
2-cyclohexyl-N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]acetamide has a molecular weight of 291.39 g/mol, XLogP of 1.95, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]acetamide is sourced from PubChem (CID 121120622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).