ethyl 4-cyclopropyl-2-methylpyrimidine-5-carboxylate

C11H14N2O2 — CID 22831806

IUPACethyl 4-cyclopropyl-2-methylpyrimidine-5-carboxylate
SMILESCCOC(=O)c1cnc(C)nc1C1CC1
InChIInChI=1S/C11H14N2O2/c1-3-15-11(14)9-6-12-7(2)13-10(9)8-4-5-8/h6,8H,3-5H2,1-2H3
InChIKeyDVNVPMSBZFMCPW-UHFFFAOYSA-N
MW206.24 g/mol
LogP1.84
Rot. Bonds3

About ethyl 4-cyclopropyl-2-methylpyrimidine-5-carboxylate

ethyl 4-cyclopropyl-2-methylpyrimidine-5-carboxylate (PubChem CID 22831806) has the molecular formula C11H14N2O2 and a molecular weight of 206.24 g/mol. Its IUPAC name is ethyl 4-cyclopropyl-2-methylpyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-cyclopropyl-2-methylpyrimidine-5-carboxylate
PubChem CID22831806
Molecular FormulaC11H14N2O2
Molecular Weight206.24 g/mol
Exact Mass206.11
IUPAC Nameethyl 4-cyclopropyl-2-methylpyrimidine-5-carboxylate
SMILESCCOC(=O)c1cnc(C)nc1C1CC1
InChIInChI=1S/C11H14N2O2/c1-3-15-11(14)9-6-12-7(2)13-10(9)8-4-5-8/h6,8H,3-5H2,1-2H3
InChIKeyDVNVPMSBZFMCPW-UHFFFAOYSA-N
XLogP1.84
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-cyclopropyl-2-(ethylsulfanylmethyl)pyrimidine-5-carboxylate
CID 102973087
ethyl 2-(butan-2-ylsulfanylmethyl)-4-cyclopropylpyrimidine-5-carboxylate
CID 102973068
ethyl 4-cyclopropylpyrimidine-5-carboxylate
CID 22831718
ethyl 4-cyclopropyl-2-(pyridin-4-ylmethyl)pyrimidine-5-carboxylate
CID 102973159
ethyl 4-cyclopropyl-2-(thiolan-2-yl)pyrimidine-5-carboxylate
CID 102973166
ethyl 4-cyclopropyl-2-(furan-3-yl)pyrimidine-5-carboxylate
CID 102973124
ethyl 2-cyclopropyl-5-ethyl-6-methylpyridine-3-carboxylate
CID 116533608
ethyl 2-cyclopropyl-6-ethyl-5-methylpyridine-3-carboxylate
CID 116533542
ethyl 5-chloro-2-cyclopropylpyridine-3-carboxylate
CID 112694248
ethyl 2-cyclopropyl-4-ethylpyrimidine-5-carboxylate
CID 102972801
ethyl 3-chloro-2-cyclopropylpyridine-4-carboxylate
CID 71239170
ethyl 2-methyl-4-phenylpyrimidine-5-carboxylate
CID 14639215

Frequently Asked Questions

What is the IUPAC name of ethyl 4-cyclopropyl-2-methylpyrimidine-5-carboxylate?
The IUPAC name of ethyl 4-cyclopropyl-2-methylpyrimidine-5-carboxylate (CID 22831806) is ethyl 4-cyclopropyl-2-methylpyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 4-cyclopropyl-2-methylpyrimidine-5-carboxylate?
The canonical SMILES for ethyl 4-cyclopropyl-2-methylpyrimidine-5-carboxylate is CCOC(=O)c1cnc(C)nc1C1CC1.
What is the InChIKey of ethyl 4-cyclopropyl-2-methylpyrimidine-5-carboxylate?
The InChIKey is DVNVPMSBZFMCPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2/c1-3-15-11(14)9-6-12-7(2)13-10(9)8-4-5-8/h6,8H,3-5H2,1-2H3.
What are the key properties of ethyl 4-cyclopropyl-2-methylpyrimidine-5-carboxylate?
ethyl 4-cyclopropyl-2-methylpyrimidine-5-carboxylate has a molecular weight of 206.24 g/mol, XLogP of 1.84, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-cyclopropyl-2-methylpyrimidine-5-carboxylate is sourced from PubChem (CID 22831806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).