N-(3,5-dichlorophenyl)-4-(2-ethylpiperidin-1-yl)-6-methylpyrimidin-2-amine

C18H22Cl2N4 — CID 112925937

IUPACN-(3,5-dichlorophenyl)-4-(2-ethylpiperidin-1-yl)-6-methylpyrimidin-2-amine
SMILESCCC1CCCCN1c1cc(C)nc(Nc2cc(Cl)cc(Cl)c2)n1
InChIInChI=1S/C18H22Cl2N4/c1-3-16-6-4-5-7-24(16)17-8-12(2)21-18(23-17)22-15-10-13(19)9-14(20)11-15/h8-11,16H,3-7H2,1-2H3,(H,21,22,23)
InChIKeyWVZPFEHCOUNUQY-UHFFFAOYSA-N
MW365.31 g/mol
LogP5.60
Rot. Bonds4

About N-(3,5-dichlorophenyl)-4-(2-ethylpiperidin-1-yl)-6-methylpyrimidin-2-amine

N-(3,5-dichlorophenyl)-4-(2-ethylpiperidin-1-yl)-6-methylpyrimidin-2-amine (PubChem CID 112925937) has the molecular formula C18H22Cl2N4 and a molecular weight of 365.31 g/mol. Its IUPAC name is N-(3,5-dichlorophenyl)-4-(2-ethylpiperidin-1-yl)-6-methylpyrimidin-2-amine.

Molecular Properties

Compound NameN-(3,5-dichlorophenyl)-4-(2-ethylpiperidin-1-yl)-6-methylpyrimidin-2-amine
PubChem CID112925937
Molecular FormulaC18H22Cl2N4
Molecular Weight365.31 g/mol
Exact Mass364.12
IUPAC NameN-(3,5-dichlorophenyl)-4-(2-ethylpiperidin-1-yl)-6-methylpyrimidin-2-amine
SMILESCCC1CCCCN1c1cc(C)nc(Nc2cc(Cl)cc(Cl)c2)n1
InChIInChI=1S/C18H22Cl2N4/c1-3-16-6-4-5-7-24(16)17-8-12(2)21-18(23-17)22-15-10-13(19)9-14(20)11-15/h8-11,16H,3-7H2,1-2H3,(H,21,22,23)
InChIKeyWVZPFEHCOUNUQY-UHFFFAOYSA-N
XLogP5.60
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.31
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-ethylpiperidin-1-yl)-6-methyl-N-(3,4,5-trimethoxyphenyl)pyrimidin-2-amine
CID 112925932
4-(2-ethylazepan-1-yl)-N,6-dimethylpyrimidin-2-amine
CID 113442061
4-(2-ethylpiperidin-1-yl)-6-methyl-N-(4-propan-2-yloxyphenyl)pyrimidin-2-amine
CID 112925899
N-(2,6-difluorophenyl)-4-(2-ethylpiperidin-1-yl)-6-methylpyrimidin-2-amine
CID 112925948
N-ethyl-4-(2-ethylpyrrolidin-1-yl)-6-methylpyrimidin-2-amine
CID 80798660
N-(3,5-dichlorophenyl)-4-methyl-6-(4-methylpiperidin-1-yl)pyrimidin-2-amine
CID 112910843
N-(3,5-dimethylphenyl)-6-(2-ethylpiperidin-1-yl)-2-methylpyrimidin-4-amine
CID 112876471
N-(3,5-dimethylphenyl)-5-(2-ethylpiperidin-1-yl)-1,2,4-triazin-3-amine
CID 112960380
N-(4-chlorophenyl)-2-(2-ethylpiperidin-1-yl)-6-methylpyrimidin-4-amine
CID 112925978
N-(4-chlorophenyl)-5-(2-ethylpiperidin-1-yl)-1,2,4-triazin-3-amine
CID 112960398
4,6-bis(2-ethylpiperidin-1-yl)-2-methylpyrimidine
CID 112876455
N-(3-chloro-4-methylphenyl)-5-(2-ethylpiperidin-1-yl)-1,2,4-triazin-3-amine
CID 112960402

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichlorophenyl)-4-(2-ethylpiperidin-1-yl)-6-methylpyrimidin-2-amine?
The IUPAC name of N-(3,5-dichlorophenyl)-4-(2-ethylpiperidin-1-yl)-6-methylpyrimidin-2-amine (CID 112925937) is N-(3,5-dichlorophenyl)-4-(2-ethylpiperidin-1-yl)-6-methylpyrimidin-2-amine.
What is the SMILES notation for N-(3,5-dichlorophenyl)-4-(2-ethylpiperidin-1-yl)-6-methylpyrimidin-2-amine?
The canonical SMILES for N-(3,5-dichlorophenyl)-4-(2-ethylpiperidin-1-yl)-6-methylpyrimidin-2-amine is CCC1CCCCN1c1cc(C)nc(Nc2cc(Cl)cc(Cl)c2)n1.
What is the InChIKey of N-(3,5-dichlorophenyl)-4-(2-ethylpiperidin-1-yl)-6-methylpyrimidin-2-amine?
The InChIKey is WVZPFEHCOUNUQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22Cl2N4/c1-3-16-6-4-5-7-24(16)17-8-12(2)21-18(23-17)22-15-10-13(19)9-14(20)11-15/h8-11,16H,3-7H2,1-2H3,(H,21,22,23).
What are the key properties of N-(3,5-dichlorophenyl)-4-(2-ethylpiperidin-1-yl)-6-methylpyrimidin-2-amine?
N-(3,5-dichlorophenyl)-4-(2-ethylpiperidin-1-yl)-6-methylpyrimidin-2-amine has a molecular weight of 365.31 g/mol, XLogP of 5.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichlorophenyl)-4-(2-ethylpiperidin-1-yl)-6-methylpyrimidin-2-amine is sourced from PubChem (CID 112925937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).