2-(4-chloro-5,6-dimethylpyrimidin-2-yl)-N,N-diethylethanamine

C12H20ClN3 — CID 60996520

IUPAC2-(4-chloro-5,6-dimethylpyrimidin-2-yl)-N,N-diethylethanamine
SMILESCCN(CC)CCc1nc(C)c(C)c(Cl)n1
InChIInChI=1S/C12H20ClN3/c1-5-16(6-2)8-7-11-14-10(4)9(3)12(13)15-11/h5-8H2,1-4H3
InChIKeySKMWQLLTXULJIT-UHFFFAOYSA-N
MW241.77 g/mol
LogP2.63
Rot. Bonds5

About 2-(4-chloro-5,6-dimethylpyrimidin-2-yl)-N,N-diethylethanamine

2-(4-chloro-5,6-dimethylpyrimidin-2-yl)-N,N-diethylethanamine (PubChem CID 60996520) has the molecular formula C12H20ClN3 and a molecular weight of 241.77 g/mol. Its IUPAC name is 2-(4-chloro-5,6-dimethylpyrimidin-2-yl)-N,N-diethylethanamine.

Molecular Properties

Compound Name2-(4-chloro-5,6-dimethylpyrimidin-2-yl)-N,N-diethylethanamine
PubChem CID60996520
Molecular FormulaC12H20ClN3
Molecular Weight241.77 g/mol
Exact Mass241.13
IUPAC Name2-(4-chloro-5,6-dimethylpyrimidin-2-yl)-N,N-diethylethanamine
SMILESCCN(CC)CCc1nc(C)c(C)c(Cl)n1
InChIInChI=1S/C12H20ClN3/c1-5-16(6-2)8-7-11-14-10(4)9(3)12(13)15-11/h5-8H2,1-4H3
InChIKeySKMWQLLTXULJIT-UHFFFAOYSA-N
XLogP2.63
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.77
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-2-ethyl-5,6-dimethylpyrimidine
CID 21039945
4-chloro-2-(2-methoxyethyl)-5,6-dimethylpyrimidine
CID 61412813
2-[2-(diethylamino)ethyl]-N,5-diethyl-6-methylpyrimidin-4-amine
CID 62191965
2-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)sulfanyl-4,5,6-trimethylpyrimidine
CID 80970894
4-chloro-2-[2-(2-methoxyethoxy)ethyl]-5,6-dimethylpyrimidine
CID 102927201
5-bromo-4-chloro-6-methyl-2-propylpyrimidine
CID 66293537
(1S)-1-[2-[2-(diethylamino)ethyl]-4-methylpyrimidin-5-yl]ethanol
CID 103431515
2-[2-(diethylamino)ethyl]-4,5-dimethyl-1H-pyrimidin-6-one
CID 135968155
N'-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)-N'-ethyl-N,N-dimethylpropane-1,3-diamine
CID 102995620
2-[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)-(2,2-difluoroethyl)amino]ethanol
CID 107482089
2-[(5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]-N,N-diethylethanamine
CID 103077116
2,4-dichloro-5,6-dimethylpyrimidine
CID 156777151

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-5,6-dimethylpyrimidin-2-yl)-N,N-diethylethanamine?
The IUPAC name of 2-(4-chloro-5,6-dimethylpyrimidin-2-yl)-N,N-diethylethanamine (CID 60996520) is 2-(4-chloro-5,6-dimethylpyrimidin-2-yl)-N,N-diethylethanamine.
What is the SMILES notation for 2-(4-chloro-5,6-dimethylpyrimidin-2-yl)-N,N-diethylethanamine?
The canonical SMILES for 2-(4-chloro-5,6-dimethylpyrimidin-2-yl)-N,N-diethylethanamine is CCN(CC)CCc1nc(C)c(C)c(Cl)n1.
What is the InChIKey of 2-(4-chloro-5,6-dimethylpyrimidin-2-yl)-N,N-diethylethanamine?
The InChIKey is SKMWQLLTXULJIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20ClN3/c1-5-16(6-2)8-7-11-14-10(4)9(3)12(13)15-11/h5-8H2,1-4H3.
What are the key properties of 2-(4-chloro-5,6-dimethylpyrimidin-2-yl)-N,N-diethylethanamine?
2-(4-chloro-5,6-dimethylpyrimidin-2-yl)-N,N-diethylethanamine has a molecular weight of 241.77 g/mol, XLogP of 2.63, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-5,6-dimethylpyrimidin-2-yl)-N,N-diethylethanamine is sourced from PubChem (CID 60996520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).