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

C16H25N3O2 — CID 90634643

IUPACN-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]-2-methylpropanamide
SMILESCc1cc(C)nc(OC2CCC(NC(=O)C(C)C)CC2)n1
InChIInChI=1S/C16H25N3O2/c1-10(2)15(20)19-13-5-7-14(8-6-13)21-16-17-11(3)9-12(4)18-16/h9-10,13-14H,5-8H2,1-4H3,(H,19,20)
InChIKeyRTIWABZZUDAWPL-UHFFFAOYSA-N
MW291.39 g/mol
LogP2.56
Rot. Bonds4

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

N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]-2-methylpropanamide (PubChem CID 90634643) 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]-2-methylpropanamide.

Molecular Properties

Compound NameN-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]-2-methylpropanamide
PubChem CID90634643
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC NameN-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]-2-methylpropanamide
SMILESCc1cc(C)nc(OC2CCC(NC(=O)C(C)C)CC2)n1
InChIInChI=1S/C16H25N3O2/c1-10(2)15(20)19-13-5-7-14(8-6-13)21-16-17-11(3)9-12(4)18-16/h9-10,13-14H,5-8H2,1-4H3,(H,19,20)
InChIKeyRTIWABZZUDAWPL-UHFFFAOYSA-N
XLogP2.56
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.56
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-methylpropanamide?
The IUPAC name of N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]-2-methylpropanamide (CID 90634643) is N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]-2-methylpropanamide.
What is the SMILES notation for N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]-2-methylpropanamide?
The canonical SMILES for N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]-2-methylpropanamide is Cc1cc(C)nc(OC2CCC(NC(=O)C(C)C)CC2)n1.
What is the InChIKey of N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]-2-methylpropanamide?
The InChIKey is RTIWABZZUDAWPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-10(2)15(20)19-13-5-7-14(8-6-13)21-16-17-11(3)9-12(4)18-16/h9-10,13-14H,5-8H2,1-4H3,(H,19,20).
What are the key properties of N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]-2-methylpropanamide?
N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]-2-methylpropanamide has a molecular weight of 291.39 g/mol, XLogP of 2.56, 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]-2-methylpropanamide is sourced from PubChem (CID 90634643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).