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

C16H25N3O2 — CID 90634641

IUPACN-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]butanamide
SMILESCCCC(=O)NC1CCC(Oc2nc(C)cc(C)n2)CC1
InChIInChI=1S/C16H25N3O2/c1-4-5-15(20)19-13-6-8-14(9-7-13)21-16-17-11(2)10-12(3)18-16/h10,13-14H,4-9H2,1-3H3,(H,19,20)
InChIKeyAQYLXHQLTRXURK-UHFFFAOYSA-N
MW291.39 g/mol
LogP2.70
Rot. Bonds5

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

N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]butanamide (PubChem CID 90634641) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]butanamide.

Molecular Properties

Compound NameN-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]butanamide
PubChem CID90634641
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC NameN-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]butanamide
SMILESCCCC(=O)NC1CCC(Oc2nc(C)cc(C)n2)CC1
InChIInChI=1S/C16H25N3O2/c1-4-5-15(20)19-13-6-8-14(9-7-13)21-16-17-11(2)10-12(3)18-16/h10,13-14H,4-9H2,1-3H3,(H,19,20)
InChIKeyAQYLXHQLTRXURK-UHFFFAOYSA-N
XLogP2.70
TPSA64.11 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 ≤ 52.70
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]butanamide?
The IUPAC name of N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]butanamide (CID 90634641) is N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]butanamide.
What is the SMILES notation for N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]butanamide?
The canonical SMILES for N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]butanamide is CCCC(=O)NC1CCC(Oc2nc(C)cc(C)n2)CC1.
What is the InChIKey of N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]butanamide?
The InChIKey is AQYLXHQLTRXURK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-4-5-15(20)19-13-6-8-14(9-7-13)21-16-17-11(2)10-12(3)18-16/h10,13-14H,4-9H2,1-3H3,(H,19,20).
What are the key properties of N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]butanamide?
N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]butanamide has a molecular weight of 291.39 g/mol, XLogP of 2.70, 5 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]butanamide is sourced from PubChem (CID 90634641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).