2-[2-(2,4-dichloro-6-methylpyrimidin-5-yl)ethyl-methylamino]-N-ethylacetamide

C12H18Cl2N4O — CID 114267778

IUPAC2-[2-(2,4-dichloro-6-methylpyrimidin-5-yl)ethyl-methylamino]-N-ethylacetamide
SMILESCCNC(=O)CN(C)CCc1c(C)nc(Cl)nc1Cl
InChIInChI=1S/C12H18Cl2N4O/c1-4-15-10(19)7-18(3)6-5-9-8(2)16-12(14)17-11(9)13/h4-7H2,1-3H3,(H,15,19)
InChIKeyWLNUMSLXZWLUNI-UHFFFAOYSA-N
MW305.21 g/mol
LogP1.70
Rot. Bonds6

About 2-[2-(2,4-dichloro-6-methylpyrimidin-5-yl)ethyl-methylamino]-N-ethylacetamide

2-[2-(2,4-dichloro-6-methylpyrimidin-5-yl)ethyl-methylamino]-N-ethylacetamide (PubChem CID 114267778) has the molecular formula C12H18Cl2N4O and a molecular weight of 305.21 g/mol. Its IUPAC name is 2-[2-(2,4-dichloro-6-methylpyrimidin-5-yl)ethyl-methylamino]-N-ethylacetamide.

Molecular Properties

Compound Name2-[2-(2,4-dichloro-6-methylpyrimidin-5-yl)ethyl-methylamino]-N-ethylacetamide
PubChem CID114267778
Molecular FormulaC12H18Cl2N4O
Molecular Weight305.21 g/mol
Exact Mass304.09
IUPAC Name2-[2-(2,4-dichloro-6-methylpyrimidin-5-yl)ethyl-methylamino]-N-ethylacetamide
SMILESCCNC(=O)CN(C)CCc1c(C)nc(Cl)nc1Cl
InChIInChI=1S/C12H18Cl2N4O/c1-4-15-10(19)7-18(3)6-5-9-8(2)16-12(14)17-11(9)13/h4-7H2,1-3H3,(H,15,19)
InChIKeyWLNUMSLXZWLUNI-UHFFFAOYSA-N
XLogP1.70
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.21
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,4-dichloro-6-methylpyrimidin-5-yl)ethyl-methylamino]-N-ethylacetamide?
The IUPAC name of 2-[2-(2,4-dichloro-6-methylpyrimidin-5-yl)ethyl-methylamino]-N-ethylacetamide (CID 114267778) is 2-[2-(2,4-dichloro-6-methylpyrimidin-5-yl)ethyl-methylamino]-N-ethylacetamide.
What is the SMILES notation for 2-[2-(2,4-dichloro-6-methylpyrimidin-5-yl)ethyl-methylamino]-N-ethylacetamide?
The canonical SMILES for 2-[2-(2,4-dichloro-6-methylpyrimidin-5-yl)ethyl-methylamino]-N-ethylacetamide is CCNC(=O)CN(C)CCc1c(C)nc(Cl)nc1Cl.
What is the InChIKey of 2-[2-(2,4-dichloro-6-methylpyrimidin-5-yl)ethyl-methylamino]-N-ethylacetamide?
The InChIKey is WLNUMSLXZWLUNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18Cl2N4O/c1-4-15-10(19)7-18(3)6-5-9-8(2)16-12(14)17-11(9)13/h4-7H2,1-3H3,(H,15,19).
What are the key properties of 2-[2-(2,4-dichloro-6-methylpyrimidin-5-yl)ethyl-methylamino]-N-ethylacetamide?
2-[2-(2,4-dichloro-6-methylpyrimidin-5-yl)ethyl-methylamino]-N-ethylacetamide has a molecular weight of 305.21 g/mol, XLogP of 1.70, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,4-dichloro-6-methylpyrimidin-5-yl)ethyl-methylamino]-N-ethylacetamide is sourced from PubChem (CID 114267778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).