2-[(6-chloro-5-formylpyrimidin-4-yl)-methylamino]-N,N-diethylacetamide

C12H17ClN4O2 — CID 66334990

IUPAC2-[(6-chloro-5-formylpyrimidin-4-yl)-methylamino]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CN(C)c1ncnc(Cl)c1C=O
InChIInChI=1S/C12H17ClN4O2/c1-4-17(5-2)10(19)6-16(3)12-9(7-18)11(13)14-8-15-12/h7-8H,4-6H2,1-3H3
InChIKeyFTTRKQNVXZKPGR-UHFFFAOYSA-N
MW284.75 g/mol
LogP1.25
Rot. Bonds6

About 2-[(6-chloro-5-formylpyrimidin-4-yl)-methylamino]-N,N-diethylacetamide

2-[(6-chloro-5-formylpyrimidin-4-yl)-methylamino]-N,N-diethylacetamide (PubChem CID 66334990) has the molecular formula C12H17ClN4O2 and a molecular weight of 284.75 g/mol. Its IUPAC name is 2-[(6-chloro-5-formylpyrimidin-4-yl)-methylamino]-N,N-diethylacetamide.

Molecular Properties

Compound Name2-[(6-chloro-5-formylpyrimidin-4-yl)-methylamino]-N,N-diethylacetamide
PubChem CID66334990
Molecular FormulaC12H17ClN4O2
Molecular Weight284.75 g/mol
Exact Mass284.10
IUPAC Name2-[(6-chloro-5-formylpyrimidin-4-yl)-methylamino]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CN(C)c1ncnc(Cl)c1C=O
InChIInChI=1S/C12H17ClN4O2/c1-4-17(5-2)10(19)6-16(3)12-9(7-18)11(13)14-8-15-12/h7-8H,4-6H2,1-3H3
InChIKeyFTTRKQNVXZKPGR-UHFFFAOYSA-N
XLogP1.25
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.75
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-chloro-5-formylpyrimidin-4-yl)-methylamino]-N,N-diethylacetamide?
The IUPAC name of 2-[(6-chloro-5-formylpyrimidin-4-yl)-methylamino]-N,N-diethylacetamide (CID 66334990) is 2-[(6-chloro-5-formylpyrimidin-4-yl)-methylamino]-N,N-diethylacetamide.
What is the SMILES notation for 2-[(6-chloro-5-formylpyrimidin-4-yl)-methylamino]-N,N-diethylacetamide?
The canonical SMILES for 2-[(6-chloro-5-formylpyrimidin-4-yl)-methylamino]-N,N-diethylacetamide is CCN(CC)C(=O)CN(C)c1ncnc(Cl)c1C=O.
What is the InChIKey of 2-[(6-chloro-5-formylpyrimidin-4-yl)-methylamino]-N,N-diethylacetamide?
The InChIKey is FTTRKQNVXZKPGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN4O2/c1-4-17(5-2)10(19)6-16(3)12-9(7-18)11(13)14-8-15-12/h7-8H,4-6H2,1-3H3.
What are the key properties of 2-[(6-chloro-5-formylpyrimidin-4-yl)-methylamino]-N,N-diethylacetamide?
2-[(6-chloro-5-formylpyrimidin-4-yl)-methylamino]-N,N-diethylacetamide has a molecular weight of 284.75 g/mol, XLogP of 1.25, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-chloro-5-formylpyrimidin-4-yl)-methylamino]-N,N-diethylacetamide is sourced from PubChem (CID 66334990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).