2-chloro-5-methoxypyrimidine-4-carboxamide

C6H6ClN3O2 — CID 87885840

IUPAC2-chloro-5-methoxypyrimidine-4-carboxamide
SMILESCOc1cnc(Cl)nc1C(N)=O
InChIInChI=1S/C6H6ClN3O2/c1-12-3-2-9-6(7)10-4(3)5(8)11/h2H,1H3,(H2,8,11)
InChIKeyZSOFDWNTMSYJKZ-UHFFFAOYSA-N
MW187.59 g/mol
LogP0.24
Rot. Bonds2

About 2-chloro-5-methoxypyrimidine-4-carboxamide

2-chloro-5-methoxypyrimidine-4-carboxamide (PubChem CID 87885840) has the molecular formula C6H6ClN3O2 and a molecular weight of 187.59 g/mol. Its IUPAC name is 2-chloro-5-methoxypyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-5-methoxypyrimidine-4-carboxamide
PubChem CID87885840
Molecular FormulaC6H6ClN3O2
Molecular Weight187.59 g/mol
Exact Mass187.01
IUPAC Name2-chloro-5-methoxypyrimidine-4-carboxamide
SMILESCOc1cnc(Cl)nc1C(N)=O
InChIInChI=1S/C6H6ClN3O2/c1-12-3-2-9-6(7)10-4(3)5(8)11/h2H,1H3,(H2,8,11)
InChIKeyZSOFDWNTMSYJKZ-UHFFFAOYSA-N
XLogP0.24
TPSA78.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.59
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-methoxypyrimidine-4-carboxamide?
The IUPAC name of 2-chloro-5-methoxypyrimidine-4-carboxamide (CID 87885840) is 2-chloro-5-methoxypyrimidine-4-carboxamide.
What is the SMILES notation for 2-chloro-5-methoxypyrimidine-4-carboxamide?
The canonical SMILES for 2-chloro-5-methoxypyrimidine-4-carboxamide is COc1cnc(Cl)nc1C(N)=O.
What is the InChIKey of 2-chloro-5-methoxypyrimidine-4-carboxamide?
The InChIKey is ZSOFDWNTMSYJKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6ClN3O2/c1-12-3-2-9-6(7)10-4(3)5(8)11/h2H,1H3,(H2,8,11).
What are the key properties of 2-chloro-5-methoxypyrimidine-4-carboxamide?
2-chloro-5-methoxypyrimidine-4-carboxamide has a molecular weight of 187.59 g/mol, XLogP of 0.24, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-methoxypyrimidine-4-carboxamide is sourced from PubChem (CID 87885840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).