2-chloro-N-(4-methyl-6-oxo-1H-pyrimidin-2-yl)acetamide

C7H8ClN3O2 — CID 135511505

IUPAC2-chloro-N-(4-methyl-6-oxo-1H-pyrimidin-2-yl)acetamide
SMILESCc1cc(=O)[nH]c(NC(=O)CCl)n1
InChIInChI=1S/C7H8ClN3O2/c1-4-2-5(12)10-7(9-4)11-6(13)3-8/h2H,3H2,1H3,(H2,9,10,11,12,13)
InChIKeyZZJVPSQTJAYSOY-UHFFFAOYSA-N
MW201.61 g/mol
LogP0.26
Rot. Bonds2

About 2-chloro-N-(4-methyl-6-oxo-1H-pyrimidin-2-yl)acetamide

2-chloro-N-(4-methyl-6-oxo-1H-pyrimidin-2-yl)acetamide (PubChem CID 135511505) has the molecular formula C7H8ClN3O2 and a molecular weight of 201.61 g/mol. Its IUPAC name is 2-chloro-N-(4-methyl-6-oxo-1H-pyrimidin-2-yl)acetamide.

Molecular Properties

Compound Name2-chloro-N-(4-methyl-6-oxo-1H-pyrimidin-2-yl)acetamide
PubChem CID135511505
Molecular FormulaC7H8ClN3O2
Molecular Weight201.61 g/mol
Exact Mass201.03
IUPAC Name2-chloro-N-(4-methyl-6-oxo-1H-pyrimidin-2-yl)acetamide
SMILESCc1cc(=O)[nH]c(NC(=O)CCl)n1
InChIInChI=1S/C7H8ClN3O2/c1-4-2-5(12)10-7(9-4)11-6(13)3-8/h2H,3H2,1H3,(H2,9,10,11,12,13)
InChIKeyZZJVPSQTJAYSOY-UHFFFAOYSA-N
XLogP0.26
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.61
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-methyl-3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)thiourea
CID 135981087
1-(2-isocyanatoethyl)-3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)urea
CID 139347372
2-(ethylamino)-4-methyl-1H-pyrimidin-6-one
CID 135840406
2-[[cyclopenta-2,4-dien-1-ylidene(hydroxy)methyl]amino]-4-methyl-1H-pyrimidin-6-one
CID 137178461
2-cyano-N'-(4-methyl-6-oxo-1H-pyrimidin-2-yl)acetohydrazide
CID 154883910
ethane;4-methyl-2-(methylamino)-1H-pyrimidin-6-one
CID 145166699
2-chloro-N-(4,6-dimethyl-2-pyridinyl)acetamide
CID 4199160
1-[3-(dimethylamino)propyl]-3-[6-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)carbamoylamino]hexyl]urea
CID 136636053
[(4-methyl-6-oxo-1H-pyrimidin-2-yl)carbamoylamino]methyl 2-methylpropanoate
CID 135965731
[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]urea
CID 137232321
1-[5-methyl-2-(3-methylbutyl)hexyl]-3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)urea
CID 139249156
[3,3,5-trimethyl-6-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)carbamoylamino]hexyl]carbamic acid
CID 156874767

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(4-methyl-6-oxo-1H-pyrimidin-2-yl)acetamide?
The IUPAC name of 2-chloro-N-(4-methyl-6-oxo-1H-pyrimidin-2-yl)acetamide (CID 135511505) is 2-chloro-N-(4-methyl-6-oxo-1H-pyrimidin-2-yl)acetamide.
What is the SMILES notation for 2-chloro-N-(4-methyl-6-oxo-1H-pyrimidin-2-yl)acetamide?
The canonical SMILES for 2-chloro-N-(4-methyl-6-oxo-1H-pyrimidin-2-yl)acetamide is Cc1cc(=O)[nH]c(NC(=O)CCl)n1.
What is the InChIKey of 2-chloro-N-(4-methyl-6-oxo-1H-pyrimidin-2-yl)acetamide?
The InChIKey is ZZJVPSQTJAYSOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClN3O2/c1-4-2-5(12)10-7(9-4)11-6(13)3-8/h2H,3H2,1H3,(H2,9,10,11,12,13).
What are the key properties of 2-chloro-N-(4-methyl-6-oxo-1H-pyrimidin-2-yl)acetamide?
2-chloro-N-(4-methyl-6-oxo-1H-pyrimidin-2-yl)acetamide has a molecular weight of 201.61 g/mol, XLogP of 0.26, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(4-methyl-6-oxo-1H-pyrimidin-2-yl)acetamide is sourced from PubChem (CID 135511505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).