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

C18H27N3O3 — CID 91626478

IUPACN-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]oxane-4-carboxamide
SMILESCc1cc(C)nc(OC2CCC(NC(=O)C3CCOCC3)CC2)n1
InChIInChI=1S/C18H27N3O3/c1-12-11-13(2)20-18(19-12)24-16-5-3-15(4-6-16)21-17(22)14-7-9-23-10-8-14/h11,14-16H,3-10H2,1-2H3,(H,21,22)
InChIKeyNLJGCAODVMWJHD-UHFFFAOYSA-N
MW333.43 g/mol
LogP2.33
Rot. Bonds4

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

N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]oxane-4-carboxamide (PubChem CID 91626478) has the molecular formula C18H27N3O3 and a molecular weight of 333.43 g/mol. Its IUPAC name is N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]oxane-4-carboxamide.

Molecular Properties

Compound NameN-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]oxane-4-carboxamide
PubChem CID91626478
Molecular FormulaC18H27N3O3
Molecular Weight333.43 g/mol
Exact Mass333.21
IUPAC NameN-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]oxane-4-carboxamide
SMILESCc1cc(C)nc(OC2CCC(NC(=O)C3CCOCC3)CC2)n1
InChIInChI=1S/C18H27N3O3/c1-12-11-13(2)20-18(19-12)24-16-5-3-15(4-6-16)21-17(22)14-7-9-23-10-8-14/h11,14-16H,3-10H2,1-2H3,(H,21,22)
InChIKeyNLJGCAODVMWJHD-UHFFFAOYSA-N
XLogP2.33
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]oxane-4-carboxamide?
The IUPAC name of N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]oxane-4-carboxamide (CID 91626478) is N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]oxane-4-carboxamide.
What is the SMILES notation for N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]oxane-4-carboxamide?
The canonical SMILES for N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]oxane-4-carboxamide is Cc1cc(C)nc(OC2CCC(NC(=O)C3CCOCC3)CC2)n1.
What is the InChIKey of N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]oxane-4-carboxamide?
The InChIKey is NLJGCAODVMWJHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O3/c1-12-11-13(2)20-18(19-12)24-16-5-3-15(4-6-16)21-17(22)14-7-9-23-10-8-14/h11,14-16H,3-10H2,1-2H3,(H,21,22).
What are the key properties of N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]oxane-4-carboxamide?
N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]oxane-4-carboxamide has a molecular weight of 333.43 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]oxane-4-carboxamide is sourced from PubChem (CID 91626478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).