N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]propanamide

C15H23N3O2 — CID 90634642

IUPACN-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]propanamide
SMILESCCC(=O)NC1CCC(Oc2nc(C)cc(C)n2)CC1
InChIInChI=1S/C15H23N3O2/c1-4-14(19)18-12-5-7-13(8-6-12)20-15-16-10(2)9-11(3)17-15/h9,12-13H,4-8H2,1-3H3,(H,18,19)
InChIKeyHYDRGHPRQAXCPQ-UHFFFAOYSA-N
MW277.37 g/mol
LogP2.31
Rot. Bonds4

About N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]propanamide

N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]propanamide (PubChem CID 90634642) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]propanamide.

Molecular Properties

Compound NameN-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]propanamide
PubChem CID90634642
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC NameN-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]propanamide
SMILESCCC(=O)NC1CCC(Oc2nc(C)cc(C)n2)CC1
InChIInChI=1S/C15H23N3O2/c1-4-14(19)18-12-5-7-13(8-6-12)20-15-16-10(2)9-11(3)17-15/h9,12-13H,4-8H2,1-3H3,(H,18,19)
InChIKeyHYDRGHPRQAXCPQ-UHFFFAOYSA-N
XLogP2.31
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]propanamide?
The IUPAC name of N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]propanamide (CID 90634642) is N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]propanamide.
What is the SMILES notation for N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]propanamide?
The canonical SMILES for N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]propanamide is CCC(=O)NC1CCC(Oc2nc(C)cc(C)n2)CC1.
What is the InChIKey of N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]propanamide?
The InChIKey is HYDRGHPRQAXCPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-4-14(19)18-12-5-7-13(8-6-12)20-15-16-10(2)9-11(3)17-15/h9,12-13H,4-8H2,1-3H3,(H,18,19).
What are the key properties of N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]propanamide?
N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]propanamide has a molecular weight of 277.37 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]propanamide is sourced from PubChem (CID 90634642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).