2-chloro-N-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-N-methylacetamide

C10H15ClN4O — CID 146107324

IUPAC2-chloro-N-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-N-methylacetamide
SMILESCN(Cc1ccnc(N(C)C)n1)C(=O)CCl
InChIInChI=1S/C10H15ClN4O/c1-14(2)10-12-5-4-8(13-10)7-15(3)9(16)6-11/h4-5H,6-7H2,1-3H3
InChIKeyIXYYTGOYZAUOMM-UHFFFAOYSA-N
MW242.71 g/mol
LogP0.74
Rot. Bonds4

About 2-chloro-N-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-N-methylacetamide

2-chloro-N-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-N-methylacetamide (PubChem CID 146107324) has the molecular formula C10H15ClN4O and a molecular weight of 242.71 g/mol. Its IUPAC name is 2-chloro-N-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-N-methylacetamide.

Molecular Properties

Compound Name2-chloro-N-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-N-methylacetamide
PubChem CID146107324
Molecular FormulaC10H15ClN4O
Molecular Weight242.71 g/mol
Exact Mass242.09
IUPAC Name2-chloro-N-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-N-methylacetamide
SMILESCN(Cc1ccnc(N(C)C)n1)C(=O)CCl
InChIInChI=1S/C10H15ClN4O/c1-14(2)10-12-5-4-8(13-10)7-15(3)9(16)6-11/h4-5H,6-7H2,1-3H3
InChIKeyIXYYTGOYZAUOMM-UHFFFAOYSA-N
XLogP0.74
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.71
LogP ≤ 50.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-N-methylacetamide?
The IUPAC name of 2-chloro-N-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-N-methylacetamide (CID 146107324) is 2-chloro-N-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-N-methylacetamide.
What is the SMILES notation for 2-chloro-N-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-N-methylacetamide?
The canonical SMILES for 2-chloro-N-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-N-methylacetamide is CN(Cc1ccnc(N(C)C)n1)C(=O)CCl.
What is the InChIKey of 2-chloro-N-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-N-methylacetamide?
The InChIKey is IXYYTGOYZAUOMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN4O/c1-14(2)10-12-5-4-8(13-10)7-15(3)9(16)6-11/h4-5H,6-7H2,1-3H3.
What are the key properties of 2-chloro-N-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-N-methylacetamide?
2-chloro-N-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-N-methylacetamide has a molecular weight of 242.71 g/mol, XLogP of 0.74, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-N-methylacetamide is sourced from PubChem (CID 146107324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).