4-methoxypyrimidine-5-carboxamide

C6H7N3O2 — CID 53426664

IUPAC4-methoxypyrimidine-5-carboxamide
SMILESCOc1ncncc1C(N)=O
InChIInChI=1S/C6H7N3O2/c1-11-6-4(5(7)10)2-8-3-9-6/h2-3H,1H3,(H2,7,10)
InChIKeyYEVRPHYQWOHHDR-UHFFFAOYSA-N
MW153.14 g/mol
LogP-0.42
Rot. Bonds2

About 4-methoxypyrimidine-5-carboxamide

4-methoxypyrimidine-5-carboxamide (PubChem CID 53426664) has the molecular formula C6H7N3O2 and a molecular weight of 153.14 g/mol. Its IUPAC name is 4-methoxypyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-methoxypyrimidine-5-carboxamide
PubChem CID53426664
Molecular FormulaC6H7N3O2
Molecular Weight153.14 g/mol
Exact Mass153.05
IUPAC Name4-methoxypyrimidine-5-carboxamide
SMILESCOc1ncncc1C(N)=O
InChIInChI=1S/C6H7N3O2/c1-11-6-4(5(7)10)2-8-3-9-6/h2-3H,1H3,(H2,7,10)
InChIKeyYEVRPHYQWOHHDR-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 4-methoxypyrimidine-5-carboxamide?
The IUPAC name of 4-methoxypyrimidine-5-carboxamide (CID 53426664) is 4-methoxypyrimidine-5-carboxamide.
What is the SMILES notation for 4-methoxypyrimidine-5-carboxamide?
The canonical SMILES for 4-methoxypyrimidine-5-carboxamide is COc1ncncc1C(N)=O.
What is the InChIKey of 4-methoxypyrimidine-5-carboxamide?
The InChIKey is YEVRPHYQWOHHDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N3O2/c1-11-6-4(5(7)10)2-8-3-9-6/h2-3H,1H3,(H2,7,10).
What are the key properties of 4-methoxypyrimidine-5-carboxamide?
4-methoxypyrimidine-5-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 4-methoxypyrimidine-5-carboxamide is sourced from PubChem (CID 53426664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).