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

C17H27N3O2 — CID 90634645

IUPACN-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]-2,2-dimethylpropanamide
SMILESCc1cc(C)nc(OC2CCC(NC(=O)C(C)(C)C)CC2)n1
InChIInChI=1S/C17H27N3O2/c1-11-10-12(2)19-16(18-11)22-14-8-6-13(7-9-14)20-15(21)17(3,4)5/h10,13-14H,6-9H2,1-5H3,(H,20,21)
InChIKeyPPBYOLNAPXIUNJ-UHFFFAOYSA-N
MW305.42 g/mol
LogP2.95
Rot. Bonds3

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

N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]-2,2-dimethylpropanamide (PubChem CID 90634645) has the molecular formula C17H27N3O2 and a molecular weight of 305.42 g/mol. Its IUPAC name is N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]-2,2-dimethylpropanamide
PubChem CID90634645
Molecular FormulaC17H27N3O2
Molecular Weight305.42 g/mol
Exact Mass305.21
IUPAC NameN-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]-2,2-dimethylpropanamide
SMILESCc1cc(C)nc(OC2CCC(NC(=O)C(C)(C)C)CC2)n1
InChIInChI=1S/C17H27N3O2/c1-11-10-12(2)19-16(18-11)22-14-8-6-13(7-9-14)20-15(21)17(3,4)5/h10,13-14H,6-9H2,1-5H3,(H,20,21)
InChIKeyPPBYOLNAPXIUNJ-UHFFFAOYSA-N
XLogP2.95
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 52.95
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]-2,2-dimethylpropanamide?
The IUPAC name of N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]-2,2-dimethylpropanamide (CID 90634645) is N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]-2,2-dimethylpropanamide is Cc1cc(C)nc(OC2CCC(NC(=O)C(C)(C)C)CC2)n1.
What is the InChIKey of N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]-2,2-dimethylpropanamide?
The InChIKey is PPBYOLNAPXIUNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2/c1-11-10-12(2)19-16(18-11)22-14-8-6-13(7-9-14)20-15(21)17(3,4)5/h10,13-14H,6-9H2,1-5H3,(H,20,21).
What are the key properties of N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]-2,2-dimethylpropanamide?
N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]-2,2-dimethylpropanamide has a molecular weight of 305.42 g/mol, XLogP of 2.95, 3 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]-2,2-dimethylpropanamide is sourced from PubChem (CID 90634645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).