(E)-N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]but-2-enamide

C16H23N3O2 — CID 90634657

IUPAC(E)-N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]but-2-enamide
SMILESC/C=C/C(=O)NC1CCC(Oc2nc(C)cc(C)n2)CC1
InChIInChI=1S/C16H23N3O2/c1-4-5-15(20)19-13-6-8-14(9-7-13)21-16-17-11(2)10-12(3)18-16/h4-5,10,13-14H,6-9H2,1-3H3,(H,19,20)/b5-4+
InChIKeyBMVHBRBHJQHTRW-SNAWJCMRSA-N
MW289.38 g/mol
LogP2.48
Rot. Bonds4

About (E)-N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]but-2-enamide

(E)-N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]but-2-enamide (PubChem CID 90634657) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is (E)-N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]but-2-enamide.

Molecular Properties

Compound Name(E)-N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]but-2-enamide
PubChem CID90634657
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name(E)-N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]but-2-enamide
SMILESC/C=C/C(=O)NC1CCC(Oc2nc(C)cc(C)n2)CC1
InChIInChI=1S/C16H23N3O2/c1-4-5-15(20)19-13-6-8-14(9-7-13)21-16-17-11(2)10-12(3)18-16/h4-5,10,13-14H,6-9H2,1-3H3,(H,19,20)/b5-4+
InChIKeyBMVHBRBHJQHTRW-SNAWJCMRSA-N
XLogP2.48
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

ethyl N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]carbamate
CID 90634770
3-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]-1,1-diethylurea
CID 90634997
(E)-N-(4-pyridin-2-yloxycyclohexyl)but-2-enamide
CID 110208369
1-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]-3-(4-fluorophenyl)urea
CID 90634951
1-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]-3-(3-phenylpropyl)urea
CID 90634987
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]acetamide
CID 91626469
N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]-3-phenylpropanamide
CID 90634754
2-(difluoromethylsulfanyl)-N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]benzamide
CID 90634865
N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide
CID 90634902
N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 90634797
N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 90634916
N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide
CID 90634871

Frequently Asked Questions

What is the IUPAC name of (E)-N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]but-2-enamide?
The IUPAC name of (E)-N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]but-2-enamide (CID 90634657) is (E)-N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]but-2-enamide.
What is the SMILES notation for (E)-N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]but-2-enamide?
The canonical SMILES for (E)-N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]but-2-enamide is C/C=C/C(=O)NC1CCC(Oc2nc(C)cc(C)n2)CC1.
What is the InChIKey of (E)-N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]but-2-enamide?
The InChIKey is BMVHBRBHJQHTRW-SNAWJCMRSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-4-5-15(20)19-13-6-8-14(9-7-13)21-16-17-11(2)10-12(3)18-16/h4-5,10,13-14H,6-9H2,1-3H3,(H,19,20)/b5-4+.
What are the key properties of (E)-N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]but-2-enamide?
(E)-N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]but-2-enamide has a molecular weight of 289.38 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]but-2-enamide is sourced from PubChem (CID 90634657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).