methyl 6-amino-5-chloro-2-(2-fluoro-3-pyridinyl)pyrimidine-4-carboxylate

C11H8ClFN4O2 — CID 58291743

IUPACmethyl 6-amino-5-chloro-2-(2-fluoro-3-pyridinyl)pyrimidine-4-carboxylate
SMILESCOC(=O)c1nc(-c2cccnc2F)nc(N)c1Cl
InChIInChI=1S/C11H8ClFN4O2/c1-19-11(18)7-6(12)9(14)17-10(16-7)5-3-2-4-15-8(5)13/h2-4H,1H3,(H2,14,16,17)
InChIKeyPRTPIUFTWNSVQX-UHFFFAOYSA-N
MW282.66 g/mol
LogP1.70
Rot. Bonds2

About methyl 6-amino-5-chloro-2-(2-fluoro-3-pyridinyl)pyrimidine-4-carboxylate

methyl 6-amino-5-chloro-2-(2-fluoro-3-pyridinyl)pyrimidine-4-carboxylate (PubChem CID 58291743) has the molecular formula C11H8ClFN4O2 and a molecular weight of 282.66 g/mol. Its IUPAC name is methyl 6-amino-5-chloro-2-(2-fluoro-3-pyridinyl)pyrimidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 6-amino-5-chloro-2-(2-fluoro-3-pyridinyl)pyrimidine-4-carboxylate
PubChem CID58291743
Molecular FormulaC11H8ClFN4O2
Molecular Weight282.66 g/mol
Exact Mass282.03
IUPAC Namemethyl 6-amino-5-chloro-2-(2-fluoro-3-pyridinyl)pyrimidine-4-carboxylate
SMILESCOC(=O)c1nc(-c2cccnc2F)nc(N)c1Cl
InChIInChI=1S/C11H8ClFN4O2/c1-19-11(18)7-6(12)9(14)17-10(16-7)5-3-2-4-15-8(5)13/h2-4H,1H3,(H2,14,16,17)
InChIKeyPRTPIUFTWNSVQX-UHFFFAOYSA-N
XLogP1.70
TPSA90.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.66
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

methyl 6-amino-5-chloro-2-(2-methoxypyrimidin-5-yl)pyrimidine-4-carboxylate
CID 67221322
methyl 6-amino-5-chloro-2-(4-methylphenyl)pyrimidine-4-carboxylate;methyl 2,5-dichloro-6-methylpyrimidine-4-carboxylate
CID 157406349
methyl 6-amino-5-chloro-2-[2-(4-fluorophenyl)-1,3-dioxol-4-yl]pyrimidine-4-carboxylate
CID 66954765
methyl 6-amino-5-bromo-2-(4-chloro-2-fluoro-3-methoxyphenyl)pyrimidine-4-carboxylate
CID 59432116
methyl 6-amino-5-chloro-2-(1-methylpyrazol-4-yl)pyrimidine-4-carboxylate
CID 58291728
methyl 5-acetyl-6-amino-2-[4-chloro-3-(dimethylamino)-2-fluorophenyl]pyrimidine-4-carboxylate
CID 66778876
ethane;methyl 3-aminopyridine-2-carboxylate
CID 168887245
methyl 6-amino-5-chloropyrimidine-4-carboxylate
CID 118996637
methyl 5-chloro-2-[4-chloro-3-(dimethylamino)-2-fluorophenyl]-6-[(3-methyl-2-pyridinyl)methylamino]pyrimidine-4-carboxylate
CID 67495906
methyl 6-amino-2-(4-chloro-2-fluoro-3-methoxyphenyl)-5-(1-fluoroethenyl)pyrimidine-4-carboxylate
CID 59432106
2-(4-chloro-2-fluoro-3-methoxyphenyl)pyrido[2,3-d]pyrimidine-4-carboxylic acid;methyl 2-(4-chloro-2-fluoro-3-methoxyphenyl)pyrido[2,3-d]pyrimidine-4-carboxylate
CID 160944574
methyl 6-amino-2-[4-chloro-3-(dimethylamino)-2-fluorophenyl]-5-cyclopropylpyrimidine-4-carboxylate
CID 66778465

Frequently Asked Questions

What is the IUPAC name of methyl 6-amino-5-chloro-2-(2-fluoro-3-pyridinyl)pyrimidine-4-carboxylate?
The IUPAC name of methyl 6-amino-5-chloro-2-(2-fluoro-3-pyridinyl)pyrimidine-4-carboxylate (CID 58291743) is methyl 6-amino-5-chloro-2-(2-fluoro-3-pyridinyl)pyrimidine-4-carboxylate.
What is the SMILES notation for methyl 6-amino-5-chloro-2-(2-fluoro-3-pyridinyl)pyrimidine-4-carboxylate?
The canonical SMILES for methyl 6-amino-5-chloro-2-(2-fluoro-3-pyridinyl)pyrimidine-4-carboxylate is COC(=O)c1nc(-c2cccnc2F)nc(N)c1Cl.
What is the InChIKey of methyl 6-amino-5-chloro-2-(2-fluoro-3-pyridinyl)pyrimidine-4-carboxylate?
The InChIKey is PRTPIUFTWNSVQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClFN4O2/c1-19-11(18)7-6(12)9(14)17-10(16-7)5-3-2-4-15-8(5)13/h2-4H,1H3,(H2,14,16,17).
What are the key properties of methyl 6-amino-5-chloro-2-(2-fluoro-3-pyridinyl)pyrimidine-4-carboxylate?
methyl 6-amino-5-chloro-2-(2-fluoro-3-pyridinyl)pyrimidine-4-carboxylate has a molecular weight of 282.66 g/mol, XLogP of 1.70, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-amino-5-chloro-2-(2-fluoro-3-pyridinyl)pyrimidine-4-carboxylate is sourced from PubChem (CID 58291743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).