ethyl 4-chloro-6-cyclopropylpyrimidine-2-carboxylate

C10H11ClN2O2 — CID 165398321

IUPACethyl 4-chloro-6-cyclopropylpyrimidine-2-carboxylate
SMILESCCOC(=O)c1nc(Cl)cc(C2CC2)n1
InChIInChI=1S/C10H11ClN2O2/c1-2-15-10(14)9-12-7(6-3-4-6)5-8(11)13-9/h5-6H,2-4H2,1H3
InChIKeyVNNAAXKYXWHZHT-UHFFFAOYSA-N
MW226.66 g/mol
LogP2.18
Rot. Bonds3

About ethyl 4-chloro-6-cyclopropylpyrimidine-2-carboxylate

ethyl 4-chloro-6-cyclopropylpyrimidine-2-carboxylate (PubChem CID 165398321) has the molecular formula C10H11ClN2O2 and a molecular weight of 226.66 g/mol. Its IUPAC name is ethyl 4-chloro-6-cyclopropylpyrimidine-2-carboxylate.

Molecular Properties

Compound Nameethyl 4-chloro-6-cyclopropylpyrimidine-2-carboxylate
PubChem CID165398321
Molecular FormulaC10H11ClN2O2
Molecular Weight226.66 g/mol
Exact Mass226.05
IUPAC Nameethyl 4-chloro-6-cyclopropylpyrimidine-2-carboxylate
SMILESCCOC(=O)c1nc(Cl)cc(C2CC2)n1
InChIInChI=1S/C10H11ClN2O2/c1-2-15-10(14)9-12-7(6-3-4-6)5-8(11)13-9/h5-6H,2-4H2,1H3
InChIKeyVNNAAXKYXWHZHT-UHFFFAOYSA-N
XLogP2.18
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.66
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-chloro-6-cyclopropylpyridine-3-carboxylate;ethyl 2,6-dichloropyridine-3-carboxylate
CID 175912460
ethyl 4-chloro-6-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methoxy]pyrimidine-2-carboxylate
CID 165130837
ethyl 2-chloro-6-methylpyrimidine-4-carboxylate
CID 2736385
ethyl 4-(6-chloro-2-pyridinyl)cyclohexane-1-carboxylate
CID 58485016
ethyl 3,6-dichloro-5-cyclopropylpyridazine-4-carboxylate
CID 171935288
ethyl 3-cyclopropyl-6-oxo-1H-pyridazine-5-carboxylate
CID 121205225
ethyl 5-chloro-2-cyclopropylpyridine-3-carboxylate
CID 112694248
methyl 4-cyclohexyl-6-methylpyrimidine-2-carboxylate
CID 116895236
methyl 4-cyclopropyl-6-(methylamino)pyrimidine-2-carboxylate
CID 66285751
ethyl 2-tert-butyl-6-cyclopropylpyridine-3-carboxylate
CID 116533815
ethyl 5-(azetidin-3-yl)-1H-1,2,4-triazole-3-carboxylate
CID 79316412
ethyl 2-cyclopropyl-5-ethyl-6-methylpyridine-3-carboxylate
CID 116533608

Frequently Asked Questions

What is the IUPAC name of ethyl 4-chloro-6-cyclopropylpyrimidine-2-carboxylate?
The IUPAC name of ethyl 4-chloro-6-cyclopropylpyrimidine-2-carboxylate (CID 165398321) is ethyl 4-chloro-6-cyclopropylpyrimidine-2-carboxylate.
What is the SMILES notation for ethyl 4-chloro-6-cyclopropylpyrimidine-2-carboxylate?
The canonical SMILES for ethyl 4-chloro-6-cyclopropylpyrimidine-2-carboxylate is CCOC(=O)c1nc(Cl)cc(C2CC2)n1.
What is the InChIKey of ethyl 4-chloro-6-cyclopropylpyrimidine-2-carboxylate?
The InChIKey is VNNAAXKYXWHZHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2O2/c1-2-15-10(14)9-12-7(6-3-4-6)5-8(11)13-9/h5-6H,2-4H2,1H3.
What are the key properties of ethyl 4-chloro-6-cyclopropylpyrimidine-2-carboxylate?
ethyl 4-chloro-6-cyclopropylpyrimidine-2-carboxylate has a molecular weight of 226.66 g/mol, XLogP of 2.18, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-chloro-6-cyclopropylpyrimidine-2-carboxylate is sourced from PubChem (CID 165398321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).