2-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)amino]-N-ethyl-N-methylacetamide

C9H13ClN4O2 — CID 136915075

IUPAC2-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)amino]-N-ethyl-N-methylacetamide
SMILESCCN(C)C(=O)CNc1nc[nH]c(=O)c1Cl
InChIInChI=1S/C9H13ClN4O2/c1-3-14(2)6(15)4-11-8-7(10)9(16)13-5-12-8/h5H,3-4H2,1-2H3,(H2,11,12,13,16)
InChIKeyUZDAPJSXNPBNOR-UHFFFAOYSA-N
MW244.68 g/mol
LogP0.31
Rot. Bonds4

About 2-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)amino]-N-ethyl-N-methylacetamide

2-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)amino]-N-ethyl-N-methylacetamide (PubChem CID 136915075) has the molecular formula C9H13ClN4O2 and a molecular weight of 244.68 g/mol. Its IUPAC name is 2-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)amino]-N-ethyl-N-methylacetamide.

Molecular Properties

Compound Name2-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)amino]-N-ethyl-N-methylacetamide
PubChem CID136915075
Molecular FormulaC9H13ClN4O2
Molecular Weight244.68 g/mol
Exact Mass244.07
IUPAC Name2-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)amino]-N-ethyl-N-methylacetamide
SMILESCCN(C)C(=O)CNc1nc[nH]c(=O)c1Cl
InChIInChI=1S/C9H13ClN4O2/c1-3-14(2)6(15)4-11-8-7(10)9(16)13-5-12-8/h5H,3-4H2,1-2H3,(H2,11,12,13,16)
InChIKeyUZDAPJSXNPBNOR-UHFFFAOYSA-N
XLogP0.31
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.68
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)amino]-N-ethyl-N-methylacetamide?
The IUPAC name of 2-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)amino]-N-ethyl-N-methylacetamide (CID 136915075) is 2-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)amino]-N-ethyl-N-methylacetamide.
What is the SMILES notation for 2-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)amino]-N-ethyl-N-methylacetamide?
The canonical SMILES for 2-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)amino]-N-ethyl-N-methylacetamide is CCN(C)C(=O)CNc1nc[nH]c(=O)c1Cl.
What is the InChIKey of 2-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)amino]-N-ethyl-N-methylacetamide?
The InChIKey is UZDAPJSXNPBNOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN4O2/c1-3-14(2)6(15)4-11-8-7(10)9(16)13-5-12-8/h5H,3-4H2,1-2H3,(H2,11,12,13,16).
What are the key properties of 2-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)amino]-N-ethyl-N-methylacetamide?
2-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)amino]-N-ethyl-N-methylacetamide has a molecular weight of 244.68 g/mol, XLogP of 0.31, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)amino]-N-ethyl-N-methylacetamide is sourced from PubChem (CID 136915075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).