N-[(4-hydroxycyclohexyl)methyl]-2-(2-oxopyrimidin-1-yl)acetamide

C13H19N3O3 — CID 106122220

IUPACN-[(4-hydroxycyclohexyl)methyl]-2-(2-oxopyrimidin-1-yl)acetamide
SMILESO=C(Cn1cccnc1=O)NCC1CCC(O)CC1
InChIInChI=1S/C13H19N3O3/c17-11-4-2-10(3-5-11)8-15-12(18)9-16-7-1-6-14-13(16)19/h1,6-7,10-11,17H,2-5,8-9H2,(H,15,18)
InChIKeyMPISOXHULNVGLR-UHFFFAOYSA-N
MW265.31 g/mol
LogP-0.09
Rot. Bonds4

About N-[(4-hydroxycyclohexyl)methyl]-2-(2-oxopyrimidin-1-yl)acetamide

N-[(4-hydroxycyclohexyl)methyl]-2-(2-oxopyrimidin-1-yl)acetamide (PubChem CID 106122220) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is N-[(4-hydroxycyclohexyl)methyl]-2-(2-oxopyrimidin-1-yl)acetamide.

Molecular Properties

Compound NameN-[(4-hydroxycyclohexyl)methyl]-2-(2-oxopyrimidin-1-yl)acetamide
PubChem CID106122220
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC NameN-[(4-hydroxycyclohexyl)methyl]-2-(2-oxopyrimidin-1-yl)acetamide
SMILESO=C(Cn1cccnc1=O)NCC1CCC(O)CC1
InChIInChI=1S/C13H19N3O3/c17-11-4-2-10(3-5-11)8-15-12(18)9-16-7-1-6-14-13(16)19/h1,6-7,10-11,17H,2-5,8-9H2,(H,15,18)
InChIKeyMPISOXHULNVGLR-UHFFFAOYSA-N
XLogP-0.09
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(4-hydroxycyclohexyl)methyl]-2-(2-oxopyrimidin-1-yl)acetamide?
The IUPAC name of N-[(4-hydroxycyclohexyl)methyl]-2-(2-oxopyrimidin-1-yl)acetamide (CID 106122220) is N-[(4-hydroxycyclohexyl)methyl]-2-(2-oxopyrimidin-1-yl)acetamide.
What is the SMILES notation for N-[(4-hydroxycyclohexyl)methyl]-2-(2-oxopyrimidin-1-yl)acetamide?
The canonical SMILES for N-[(4-hydroxycyclohexyl)methyl]-2-(2-oxopyrimidin-1-yl)acetamide is O=C(Cn1cccnc1=O)NCC1CCC(O)CC1.
What is the InChIKey of N-[(4-hydroxycyclohexyl)methyl]-2-(2-oxopyrimidin-1-yl)acetamide?
The InChIKey is MPISOXHULNVGLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c17-11-4-2-10(3-5-11)8-15-12(18)9-16-7-1-6-14-13(16)19/h1,6-7,10-11,17H,2-5,8-9H2,(H,15,18).
What are the key properties of N-[(4-hydroxycyclohexyl)methyl]-2-(2-oxopyrimidin-1-yl)acetamide?
N-[(4-hydroxycyclohexyl)methyl]-2-(2-oxopyrimidin-1-yl)acetamide has a molecular weight of 265.31 g/mol, XLogP of -0.09, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-hydroxycyclohexyl)methyl]-2-(2-oxopyrimidin-1-yl)acetamide is sourced from PubChem (CID 106122220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).