2-[[5-chloro-2-[[2-(diethylamino)-2-oxoethyl]-methylamino]pyrimidin-4-yl]-methylamino]-N,N-diethylacetamide

C18H31ClN6O2 — CID 71863717

IUPAC2-[[5-chloro-2-[[2-(diethylamino)-2-oxoethyl]-methylamino]pyrimidin-4-yl]-methylamino]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CN(C)c1ncc(Cl)c(N(C)CC(=O)N(CC)CC)n1
InChIInChI=1S/C18H31ClN6O2/c1-7-24(8-2)15(26)12-22(5)17-14(19)11-20-18(21-17)23(6)13-16(27)25(9-3)10-4/h11H,7-10,12-13H2,1-6H3
InChIKeyMIIPBXJJSBIFSK-UHFFFAOYSA-N
MW398.94 g/mol
LogP1.74
Rot. Bonds10

About 2-[[5-chloro-2-[[2-(diethylamino)-2-oxoethyl]-methylamino]pyrimidin-4-yl]-methylamino]-N,N-diethylacetamide

2-[[5-chloro-2-[[2-(diethylamino)-2-oxoethyl]-methylamino]pyrimidin-4-yl]-methylamino]-N,N-diethylacetamide (PubChem CID 71863717) has the molecular formula C18H31ClN6O2 and a molecular weight of 398.94 g/mol. Its IUPAC name is 2-[[5-chloro-2-[[2-(diethylamino)-2-oxoethyl]-methylamino]pyrimidin-4-yl]-methylamino]-N,N-diethylacetamide.

Molecular Properties

Compound Name2-[[5-chloro-2-[[2-(diethylamino)-2-oxoethyl]-methylamino]pyrimidin-4-yl]-methylamino]-N,N-diethylacetamide
PubChem CID71863717
Molecular FormulaC18H31ClN6O2
Molecular Weight398.94 g/mol
Exact Mass398.22
IUPAC Name2-[[5-chloro-2-[[2-(diethylamino)-2-oxoethyl]-methylamino]pyrimidin-4-yl]-methylamino]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CN(C)c1ncc(Cl)c(N(C)CC(=O)N(CC)CC)n1
InChIInChI=1S/C18H31ClN6O2/c1-7-24(8-2)15(26)12-22(5)17-14(19)11-20-18(21-17)23(6)13-16(27)25(9-3)10-4/h11H,7-10,12-13H2,1-6H3
InChIKeyMIIPBXJJSBIFSK-UHFFFAOYSA-N
XLogP1.74
TPSA72.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.94
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[[5-chloro-2-[[2-(diethylamino)-2-oxoethyl]-methylamino]pyrimidin-4-yl]-methylamino]-N,N-diethylacetamide with MolForge

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Related Compounds

N,N-diethyl-2-[(5-formylpyrimidin-2-yl)-methylamino]acetamide
CID 113387641
2-[(4-aminopyrimidin-2-yl)-methylamino]-N,N-diethylacetamide
CID 115978158
5-chloro-2-[[2-(diethylamino)-2-oxoethyl]-methylamino]pyridine-4-carboxylic acid
CID 114919354
2-[[5-chloro-2-[2-hydroxyethyl(methyl)amino]pyrimidin-4-yl]-methylamino]ethanol
CID 133381559
2-[[3-(aminomethyl)pyrazin-2-yl]-methylamino]-N,N-diethylacetamide
CID 62673044
2-[(6-chloropyrazin-2-yl)-methylamino]-N,N-diethylacetamide
CID 54943266
2-[(6-chloro-5-formylpyrimidin-4-yl)-methylamino]-N,N-diethylacetamide
CID 66334990
2-[(2-amino-5-chloropyrimidin-4-yl)-methylamino]-N-propylacetamide
CID 80808691
2-[(5-amino-3-bromo-2-pyridinyl)-methylamino]-N,N-diethylacetamide
CID 79531880
2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)-methylamino]-N,N-diethylacetamide
CID 136989947
3-chloro-6-[[2-(diethylamino)-2-oxoethyl]-methylamino]pyridine-2-carboxylic acid
CID 61452600
2-[(2-amino-7H-purin-6-yl)-methylamino]-N,N-diethylacetamide
CID 115669354

Frequently Asked Questions

What is the IUPAC name of 2-[[5-chloro-2-[[2-(diethylamino)-2-oxoethyl]-methylamino]pyrimidin-4-yl]-methylamino]-N,N-diethylacetamide?
The IUPAC name of 2-[[5-chloro-2-[[2-(diethylamino)-2-oxoethyl]-methylamino]pyrimidin-4-yl]-methylamino]-N,N-diethylacetamide (CID 71863717) is 2-[[5-chloro-2-[[2-(diethylamino)-2-oxoethyl]-methylamino]pyrimidin-4-yl]-methylamino]-N,N-diethylacetamide.
What is the SMILES notation for 2-[[5-chloro-2-[[2-(diethylamino)-2-oxoethyl]-methylamino]pyrimidin-4-yl]-methylamino]-N,N-diethylacetamide?
The canonical SMILES for 2-[[5-chloro-2-[[2-(diethylamino)-2-oxoethyl]-methylamino]pyrimidin-4-yl]-methylamino]-N,N-diethylacetamide is CCN(CC)C(=O)CN(C)c1ncc(Cl)c(N(C)CC(=O)N(CC)CC)n1.
What is the InChIKey of 2-[[5-chloro-2-[[2-(diethylamino)-2-oxoethyl]-methylamino]pyrimidin-4-yl]-methylamino]-N,N-diethylacetamide?
The InChIKey is MIIPBXJJSBIFSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31ClN6O2/c1-7-24(8-2)15(26)12-22(5)17-14(19)11-20-18(21-17)23(6)13-16(27)25(9-3)10-4/h11H,7-10,12-13H2,1-6H3.
What are the key properties of 2-[[5-chloro-2-[[2-(diethylamino)-2-oxoethyl]-methylamino]pyrimidin-4-yl]-methylamino]-N,N-diethylacetamide?
2-[[5-chloro-2-[[2-(diethylamino)-2-oxoethyl]-methylamino]pyrimidin-4-yl]-methylamino]-N,N-diethylacetamide has a molecular weight of 398.94 g/mol, XLogP of 1.74, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-chloro-2-[[2-(diethylamino)-2-oxoethyl]-methylamino]pyrimidin-4-yl]-methylamino]-N,N-diethylacetamide is sourced from PubChem (CID 71863717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).