6-methoxypyrimidine-4-carboxamide

C6H7N3O2 — CID 89155963

IUPAC6-methoxypyrimidine-4-carboxamide
SMILESCOc1cc(C(N)=O)ncn1
InChIInChI=1S/C6H7N3O2/c1-11-5-2-4(6(7)10)8-3-9-5/h2-3H,1H3,(H2,7,10)
InChIKeyMMFYRXPWSZHBIE-UHFFFAOYSA-N
MW153.14 g/mol
LogP-0.42
Rot. Bonds2

About 6-methoxypyrimidine-4-carboxamide

6-methoxypyrimidine-4-carboxamide (PubChem CID 89155963) has the molecular formula C6H7N3O2 and a molecular weight of 153.14 g/mol. Its IUPAC name is 6-methoxypyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-methoxypyrimidine-4-carboxamide
PubChem CID89155963
Molecular FormulaC6H7N3O2
Molecular Weight153.14 g/mol
Exact Mass153.05
IUPAC Name6-methoxypyrimidine-4-carboxamide
SMILESCOc1cc(C(N)=O)ncn1
InChIInChI=1S/C6H7N3O2/c1-11-5-2-4(6(7)10)8-3-9-5/h2-3H,1H3,(H2,7,10)
InChIKeyMMFYRXPWSZHBIE-UHFFFAOYSA-N
XLogP-0.42
TPSA78.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.14
LogP ≤ 5-0.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methoxypyrimidine-4-carboxamide?
The IUPAC name of 6-methoxypyrimidine-4-carboxamide (CID 89155963) is 6-methoxypyrimidine-4-carboxamide.
What is the SMILES notation for 6-methoxypyrimidine-4-carboxamide?
The canonical SMILES for 6-methoxypyrimidine-4-carboxamide is COc1cc(C(N)=O)ncn1.
What is the InChIKey of 6-methoxypyrimidine-4-carboxamide?
The InChIKey is MMFYRXPWSZHBIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N3O2/c1-11-5-2-4(6(7)10)8-3-9-5/h2-3H,1H3,(H2,7,10).
What are the key properties of 6-methoxypyrimidine-4-carboxamide?
6-methoxypyrimidine-4-carboxamide has a molecular weight of 153.14 g/mol, XLogP of -0.42, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxypyrimidine-4-carboxamide is sourced from PubChem (CID 89155963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).