ethane;1-(4-methoxy-6-methylpyrimidin-5-yl)cyclopropane-1-carboxamide

C12H19N3O2 — CID 171833147

IUPACethane;1-(4-methoxy-6-methylpyrimidin-5-yl)cyclopropane-1-carboxamide
SMILESCC.COc1ncnc(C)c1C1(C(N)=O)CC1
InChIInChI=1S/C10H13N3O2.C2H6/c1-6-7(8(15-2)13-5-12-6)10(3-4-10)9(11)14;1-2/h5H,3-4H2,1-2H3,(H2,11,14);1-2H3
InChIKeyHWNZSHRZRLGFGC-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.34
Rot. Bonds3

About ethane;1-(4-methoxy-6-methylpyrimidin-5-yl)cyclopropane-1-carboxamide

ethane;1-(4-methoxy-6-methylpyrimidin-5-yl)cyclopropane-1-carboxamide (PubChem CID 171833147) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is ethane;1-(4-methoxy-6-methylpyrimidin-5-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Nameethane;1-(4-methoxy-6-methylpyrimidin-5-yl)cyclopropane-1-carboxamide
PubChem CID171833147
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Nameethane;1-(4-methoxy-6-methylpyrimidin-5-yl)cyclopropane-1-carboxamide
SMILESCC.COc1ncnc(C)c1C1(C(N)=O)CC1
InChIInChI=1S/C10H13N3O2.C2H6/c1-6-7(8(15-2)13-5-12-6)10(3-4-10)9(11)14;1-2/h5H,3-4H2,1-2H3,(H2,11,14);1-2H3
InChIKeyHWNZSHRZRLGFGC-UHFFFAOYSA-N
XLogP1.34
TPSA78.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethane;1-(4-methoxy-6-methylpyrimidin-5-yl)cyclopropane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethane;1-(4-methoxy-6-methylpyrimidin-5-yl)cyclopropane-1-carboxamide?
The IUPAC name of ethane;1-(4-methoxy-6-methylpyrimidin-5-yl)cyclopropane-1-carboxamide (CID 171833147) is ethane;1-(4-methoxy-6-methylpyrimidin-5-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for ethane;1-(4-methoxy-6-methylpyrimidin-5-yl)cyclopropane-1-carboxamide?
The canonical SMILES for ethane;1-(4-methoxy-6-methylpyrimidin-5-yl)cyclopropane-1-carboxamide is CC.COc1ncnc(C)c1C1(C(N)=O)CC1.
What is the InChIKey of ethane;1-(4-methoxy-6-methylpyrimidin-5-yl)cyclopropane-1-carboxamide?
The InChIKey is HWNZSHRZRLGFGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2.C2H6/c1-6-7(8(15-2)13-5-12-6)10(3-4-10)9(11)14;1-2/h5H,3-4H2,1-2H3,(H2,11,14);1-2H3.
What are the key properties of ethane;1-(4-methoxy-6-methylpyrimidin-5-yl)cyclopropane-1-carboxamide?
ethane;1-(4-methoxy-6-methylpyrimidin-5-yl)cyclopropane-1-carboxamide has a molecular weight of 237.30 g/mol, XLogP of 1.34, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-(4-methoxy-6-methylpyrimidin-5-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 171833147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).