methyl 4-(2-methylpyrimidin-5-yl)but-3-enoate

C10H12N2O2 — CID 170500325

IUPACmethyl 4-(2-methylpyrimidin-5-yl)but-3-enoate
SMILESCOC(=O)CC=Cc1cnc(C)nc1
InChIInChI=1S/C10H12N2O2/c1-8-11-6-9(7-12-8)4-3-5-10(13)14-2/h3-4,6-7H,5H2,1-2H3
InChIKeyWRPPPHHKBUXUTF-UHFFFAOYSA-N
MW192.22 g/mol
LogP1.36
Rot. Bonds3

About methyl 4-(2-methylpyrimidin-5-yl)but-3-enoate

methyl 4-(2-methylpyrimidin-5-yl)but-3-enoate (PubChem CID 170500325) has the molecular formula C10H12N2O2 and a molecular weight of 192.22 g/mol. Its IUPAC name is methyl 4-(2-methylpyrimidin-5-yl)but-3-enoate.

Molecular Properties

Compound Namemethyl 4-(2-methylpyrimidin-5-yl)but-3-enoate
PubChem CID170500325
Molecular FormulaC10H12N2O2
Molecular Weight192.22 g/mol
Exact Mass192.09
IUPAC Namemethyl 4-(2-methylpyrimidin-5-yl)but-3-enoate
SMILESCOC(=O)CC=Cc1cnc(C)nc1
InChIInChI=1S/C10H12N2O2/c1-8-11-6-9(7-12-8)4-3-5-10(13)14-2/h3-4,6-7H,5H2,1-2H3
InChIKeyWRPPPHHKBUXUTF-UHFFFAOYSA-N
XLogP1.36
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-(5-amino-6-methyl-3-pyridinyl)but-3-enoate
CID 170500531
methyl 4-(1H-pyrazol-4-yl)but-3-enoate
CID 170500267
methyl 4-(5-methyl-2-pyridinyl)but-3-enoate
CID 170500370
methyl 4-(5-methyl-1,3-thiazol-2-yl)but-3-enoate
CID 170500293
methyl (E)-4-pyridin-3-ylbut-3-enoate
CID 11513847
2-amino-5-(4-methoxy-4-oxobut-1-enyl)pyridine-3-carboxylic acid
CID 170501228
methyl 4-phenylbut-3-enoate;molecular nitrogen
CID 175524038
methyl 4-(3-fluoro-5-methylphenyl)but-3-enoate
CID 170500418
5-(3-bromoprop-1-enyl)-2-methylpyrimidine
CID 169474962
methyl 4-(3,4,5-trichlorophenyl)but-3-enoate
CID 170500693
methyl 4-(3-methyl-2-pyridinyl)but-3-enoate
CID 170500371
methyl 4-imidazo[1,2-a]pyrazin-3-ylbut-3-enoate
CID 170501045

Frequently Asked Questions

What is the IUPAC name of methyl 4-(2-methylpyrimidin-5-yl)but-3-enoate?
The IUPAC name of methyl 4-(2-methylpyrimidin-5-yl)but-3-enoate (CID 170500325) is methyl 4-(2-methylpyrimidin-5-yl)but-3-enoate.
What is the SMILES notation for methyl 4-(2-methylpyrimidin-5-yl)but-3-enoate?
The canonical SMILES for methyl 4-(2-methylpyrimidin-5-yl)but-3-enoate is COC(=O)CC=Cc1cnc(C)nc1.
What is the InChIKey of methyl 4-(2-methylpyrimidin-5-yl)but-3-enoate?
The InChIKey is WRPPPHHKBUXUTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2/c1-8-11-6-9(7-12-8)4-3-5-10(13)14-2/h3-4,6-7H,5H2,1-2H3.
What are the key properties of methyl 4-(2-methylpyrimidin-5-yl)but-3-enoate?
methyl 4-(2-methylpyrimidin-5-yl)but-3-enoate has a molecular weight of 192.22 g/mol, XLogP of 1.36, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(2-methylpyrimidin-5-yl)but-3-enoate is sourced from PubChem (CID 170500325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).