2-[(2,6-dichlorophenyl)methyl]-N-ethyl-5,6-dimethylpyrimidin-4-amine

C15H17Cl2N3 — CID 63485964

IUPAC2-[(2,6-dichlorophenyl)methyl]-N-ethyl-5,6-dimethylpyrimidin-4-amine
SMILESCCNc1nc(Cc2c(Cl)cccc2Cl)nc(C)c1C
InChIInChI=1S/C15H17Cl2N3/c1-4-18-15-9(2)10(3)19-14(20-15)8-11-12(16)6-5-7-13(11)17/h5-7H,4,8H2,1-3H3,(H,18,19,20)
InChIKeyRLKHKRWBOYLDMG-UHFFFAOYSA-N
MW310.23 g/mol
LogP4.42
Rot. Bonds4

About 2-[(2,6-dichlorophenyl)methyl]-N-ethyl-5,6-dimethylpyrimidin-4-amine

2-[(2,6-dichlorophenyl)methyl]-N-ethyl-5,6-dimethylpyrimidin-4-amine (PubChem CID 63485964) has the molecular formula C15H17Cl2N3 and a molecular weight of 310.23 g/mol. Its IUPAC name is 2-[(2,6-dichlorophenyl)methyl]-N-ethyl-5,6-dimethylpyrimidin-4-amine.

Molecular Properties

Compound Name2-[(2,6-dichlorophenyl)methyl]-N-ethyl-5,6-dimethylpyrimidin-4-amine
PubChem CID63485964
Molecular FormulaC15H17Cl2N3
Molecular Weight310.23 g/mol
Exact Mass309.08
IUPAC Name2-[(2,6-dichlorophenyl)methyl]-N-ethyl-5,6-dimethylpyrimidin-4-amine
SMILESCCNc1nc(Cc2c(Cl)cccc2Cl)nc(C)c1C
InChIInChI=1S/C15H17Cl2N3/c1-4-18-15-9(2)10(3)19-14(20-15)8-11-12(16)6-5-7-13(11)17/h5-7H,4,8H2,1-3H3,(H,18,19,20)
InChIKeyRLKHKRWBOYLDMG-UHFFFAOYSA-N
XLogP4.42
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.23
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-chlorophenyl)methyl]-N-ethyl-5,6-dimethylpyrimidin-4-amine
CID 62192554
2-[(2-chloro-6-fluorophenyl)methyl]-N-ethyl-5-iodo-6-methylpyrimidin-4-amine
CID 66305117
2-[(2-bromophenyl)methyl]-N-ethyl-5,6-dimethylpyrimidin-4-amine
CID 62830547
4-chloro-2-[(2-chloro-6-fluorophenyl)methyl]-5,6-dimethylpyrimidine
CID 63024195
2-(1H-benzimidazol-2-ylmethyl)-N-ethyl-5,6-dimethylpyrimidin-4-amine
CID 63638962
6-(2-chlorophenyl)-N,2-diethyl-5-methylpyrimidin-4-amine
CID 80975059
2-[(2,4-dichlorophenyl)methyl]-5,6-dimethyl-N-propylpyrimidin-4-amine
CID 63486136
N-ethyl-2-[(3-fluorophenyl)sulfanylmethyl]-5,6-dimethylpyrimidin-4-amine
CID 66070669
2-[(3,4-dichlorophenyl)methyl]-N,6-diethyl-5-methylpyrimidin-4-amine
CID 63562496
2-(2,6-dichlorophenyl)-5,6-dimethyl-N-propylpyrimidin-4-amine
CID 63480505
2-[(2,6-dichlorophenyl)methyl]-N-methyl-7H-purin-6-amine
CID 154249196
N-ethyl-5,6-dimethyl-2-naphthalen-1-ylpyrimidin-4-amine
CID 63486132

Frequently Asked Questions

What is the IUPAC name of 2-[(2,6-dichlorophenyl)methyl]-N-ethyl-5,6-dimethylpyrimidin-4-amine?
The IUPAC name of 2-[(2,6-dichlorophenyl)methyl]-N-ethyl-5,6-dimethylpyrimidin-4-amine (CID 63485964) is 2-[(2,6-dichlorophenyl)methyl]-N-ethyl-5,6-dimethylpyrimidin-4-amine.
What is the SMILES notation for 2-[(2,6-dichlorophenyl)methyl]-N-ethyl-5,6-dimethylpyrimidin-4-amine?
The canonical SMILES for 2-[(2,6-dichlorophenyl)methyl]-N-ethyl-5,6-dimethylpyrimidin-4-amine is CCNc1nc(Cc2c(Cl)cccc2Cl)nc(C)c1C.
What is the InChIKey of 2-[(2,6-dichlorophenyl)methyl]-N-ethyl-5,6-dimethylpyrimidin-4-amine?
The InChIKey is RLKHKRWBOYLDMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17Cl2N3/c1-4-18-15-9(2)10(3)19-14(20-15)8-11-12(16)6-5-7-13(11)17/h5-7H,4,8H2,1-3H3,(H,18,19,20).
What are the key properties of 2-[(2,6-dichlorophenyl)methyl]-N-ethyl-5,6-dimethylpyrimidin-4-amine?
2-[(2,6-dichlorophenyl)methyl]-N-ethyl-5,6-dimethylpyrimidin-4-amine has a molecular weight of 310.23 g/mol, XLogP of 4.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,6-dichlorophenyl)methyl]-N-ethyl-5,6-dimethylpyrimidin-4-amine is sourced from PubChem (CID 63485964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).