methyl 6-chloro-2-cyclopropyl-5-methylpyrimidine-4-carboxylate

C10H11ClN2O2 — CID 84690746

IUPACmethyl 6-chloro-2-cyclopropyl-5-methylpyrimidine-4-carboxylate
SMILESCOC(=O)c1nc(C2CC2)nc(Cl)c1C
InChIInChI=1S/C10H11ClN2O2/c1-5-7(10(14)15-2)12-9(6-3-4-6)13-8(5)11/h6H,3-4H2,1-2H3
InChIKeyLVYYKMXCZHFKAA-UHFFFAOYSA-N
MW226.66 g/mol
LogP2.10
Rot. Bonds2

About methyl 6-chloro-2-cyclopropyl-5-methylpyrimidine-4-carboxylate

methyl 6-chloro-2-cyclopropyl-5-methylpyrimidine-4-carboxylate (PubChem CID 84690746) has the molecular formula C10H11ClN2O2 and a molecular weight of 226.66 g/mol. Its IUPAC name is methyl 6-chloro-2-cyclopropyl-5-methylpyrimidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 6-chloro-2-cyclopropyl-5-methylpyrimidine-4-carboxylate
PubChem CID84690746
Molecular FormulaC10H11ClN2O2
Molecular Weight226.66 g/mol
Exact Mass226.05
IUPAC Namemethyl 6-chloro-2-cyclopropyl-5-methylpyrimidine-4-carboxylate
SMILESCOC(=O)c1nc(C2CC2)nc(Cl)c1C
InChIInChI=1S/C10H11ClN2O2/c1-5-7(10(14)15-2)12-9(6-3-4-6)13-8(5)11/h6H,3-4H2,1-2H3
InChIKeyLVYYKMXCZHFKAA-UHFFFAOYSA-N
XLogP2.10
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.66
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)amino]acetate
CID 80970316
methyl 5-chloro-2-cyclopropyl-6-[methyl(pyridin-4-yl)amino]pyrimidine-4-carboxylate
CID 67094450
methyl 5-chloro-2-cyclopropyl-6-[[(3S,4S)-4-hydroxyoxolan-3-yl]amino]pyrimidine-4-carboxylate
CID 58220840
methyl 6-[1-(4-bromophenyl)ethylamino]-5-chloro-2-cyclopropylpyrimidine-4-carboxylate
CID 58220831
methyl 5-chloro-2-cyclopropyl-6-[(2-methyl-1-phenylpropyl)amino]pyrimidine-4-carboxylate
CID 140564379
methyl 5-chloro-2-cyclopropyl-6-[(4-methylphenyl)methyl-propylamino]pyrimidine-4-carboxylate
CID 58220819
3-amino-6-chloro-4-cyclopropyl-5-methylpyridine-2-carboxylic acid
CID 174666918
methyl 4,6-dichloro-5-methylpyrimidine-2-carboxylate
CID 58937974
methyl 6-amino-2-cyclopropyl-5-pent-1-enylpyrimidine-4-carboxylate
CID 66778851
(propan-2-ylideneamino) 6-amino-5-chloro-2-cyclopropylpyrimidine-4-carboxylate
CID 146293243
methyl 6-[(5-bromofuran-2-yl)methylamino]-5-chloro-2-cyclopropylpyrimidine-4-carboxylate
CID 58220920
4-O-ethyl 2-O-methyl 6-chloro-5-methylpyrimidine-2,4-dicarboxylate
CID 10445251

Frequently Asked Questions

What is the IUPAC name of methyl 6-chloro-2-cyclopropyl-5-methylpyrimidine-4-carboxylate?
The IUPAC name of methyl 6-chloro-2-cyclopropyl-5-methylpyrimidine-4-carboxylate (CID 84690746) is methyl 6-chloro-2-cyclopropyl-5-methylpyrimidine-4-carboxylate.
What is the SMILES notation for methyl 6-chloro-2-cyclopropyl-5-methylpyrimidine-4-carboxylate?
The canonical SMILES for methyl 6-chloro-2-cyclopropyl-5-methylpyrimidine-4-carboxylate is COC(=O)c1nc(C2CC2)nc(Cl)c1C.
What is the InChIKey of methyl 6-chloro-2-cyclopropyl-5-methylpyrimidine-4-carboxylate?
The InChIKey is LVYYKMXCZHFKAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2O2/c1-5-7(10(14)15-2)12-9(6-3-4-6)13-8(5)11/h6H,3-4H2,1-2H3.
What are the key properties of methyl 6-chloro-2-cyclopropyl-5-methylpyrimidine-4-carboxylate?
methyl 6-chloro-2-cyclopropyl-5-methylpyrimidine-4-carboxylate has a molecular weight of 226.66 g/mol, XLogP of 2.10, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-chloro-2-cyclopropyl-5-methylpyrimidine-4-carboxylate is sourced from PubChem (CID 84690746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).