ethyl 4-cyclopropylpyrimidine-5-carboxylate

C10H12N2O2 — CID 22831718

IUPACethyl 4-cyclopropylpyrimidine-5-carboxylate
SMILESCCOC(=O)c1cncnc1C1CC1
InChIInChI=1S/C10H12N2O2/c1-2-14-10(13)8-5-11-6-12-9(8)7-3-4-7/h5-7H,2-4H2,1H3
InChIKeyBXOXNWXPVJUXFM-UHFFFAOYSA-N
MW192.22 g/mol
LogP1.53
Rot. Bonds3

About ethyl 4-cyclopropylpyrimidine-5-carboxylate

ethyl 4-cyclopropylpyrimidine-5-carboxylate (PubChem CID 22831718) has the molecular formula C10H12N2O2 and a molecular weight of 192.22 g/mol. Its IUPAC name is ethyl 4-cyclopropylpyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-cyclopropylpyrimidine-5-carboxylate
PubChem CID22831718
Molecular FormulaC10H12N2O2
Molecular Weight192.22 g/mol
Exact Mass192.09
IUPAC Nameethyl 4-cyclopropylpyrimidine-5-carboxylate
SMILESCCOC(=O)c1cncnc1C1CC1
InChIInChI=1S/C10H12N2O2/c1-2-14-10(13)8-5-11-6-12-9(8)7-3-4-7/h5-7H,2-4H2,1H3
InChIKeyBXOXNWXPVJUXFM-UHFFFAOYSA-N
XLogP1.53
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 ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-cyclopropyl-2-methylpyrimidine-5-carboxylate
CID 22831806
ethyl 5-chloro-2-cyclopropylpyridine-3-carboxylate
CID 112694248
diethyl pyrimidine-4,5-dicarboxylate
CID 13000769
ethyl 4-cyclopropyl-2-(pyridin-4-ylmethyl)pyrimidine-5-carboxylate
CID 102973159
ethyl 4-cyclopropyl-2-(ethylsulfanylmethyl)pyrimidine-5-carboxylate
CID 102973087
ethyl 3-chloro-2-cyclopropylpyridine-4-carboxylate
CID 71239170
ethyl 2-cyclopropyl-5-ethyl-6-methylpyridine-3-carboxylate
CID 116533608
ethyl 1,3,5-triazine-2-carboxylate
CID 23260906
ethyl 2-(butan-2-ylsulfanylmethyl)-4-cyclopropylpyrimidine-5-carboxylate
CID 102973068
ethyl 4-cyclopropyl-2-(thiolan-2-yl)pyrimidine-5-carboxylate
CID 102973166
ethyl 2-cyclopropyl-6-ethyl-5-methylpyridine-3-carboxylate
CID 116533542
ethyl 4-cyclopropyl-2-(furan-3-yl)pyrimidine-5-carboxylate
CID 102973124

Frequently Asked Questions

What is the IUPAC name of ethyl 4-cyclopropylpyrimidine-5-carboxylate?
The IUPAC name of ethyl 4-cyclopropylpyrimidine-5-carboxylate (CID 22831718) is ethyl 4-cyclopropylpyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 4-cyclopropylpyrimidine-5-carboxylate?
The canonical SMILES for ethyl 4-cyclopropylpyrimidine-5-carboxylate is CCOC(=O)c1cncnc1C1CC1.
What is the InChIKey of ethyl 4-cyclopropylpyrimidine-5-carboxylate?
The InChIKey is BXOXNWXPVJUXFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2/c1-2-14-10(13)8-5-11-6-12-9(8)7-3-4-7/h5-7H,2-4H2,1H3.
What are the key properties of ethyl 4-cyclopropylpyrimidine-5-carboxylate?
ethyl 4-cyclopropylpyrimidine-5-carboxylate has a molecular weight of 192.22 g/mol, XLogP of 1.53, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-cyclopropylpyrimidine-5-carboxylate is sourced from PubChem (CID 22831718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).