N-[[4-(2,4-dichlorophenyl)oxan-4-yl]methyl]-6-methylpyrazin-2-amine

C17H19Cl2N3O — CID 133468648

IUPACN-[[4-(2,4-dichlorophenyl)oxan-4-yl]methyl]-6-methylpyrazin-2-amine
SMILESCc1cncc(NCC2(c3ccc(Cl)cc3Cl)CCOCC2)n1
InChIInChI=1S/C17H19Cl2N3O/c1-12-9-20-10-16(22-12)21-11-17(4-6-23-7-5-17)14-3-2-13(18)8-15(14)19/h2-3,8-10H,4-7,11H2,1H3,(H,21,22)
InChIKeyGDLAWDBIQSJTQP-UHFFFAOYSA-N
MW352.27 g/mol
LogP4.25
Rot. Bonds4

About N-[[4-(2,4-dichlorophenyl)oxan-4-yl]methyl]-6-methylpyrazin-2-amine

N-[[4-(2,4-dichlorophenyl)oxan-4-yl]methyl]-6-methylpyrazin-2-amine (PubChem CID 133468648) has the molecular formula C17H19Cl2N3O and a molecular weight of 352.27 g/mol. Its IUPAC name is N-[[4-(2,4-dichlorophenyl)oxan-4-yl]methyl]-6-methylpyrazin-2-amine.

Molecular Properties

Compound NameN-[[4-(2,4-dichlorophenyl)oxan-4-yl]methyl]-6-methylpyrazin-2-amine
PubChem CID133468648
Molecular FormulaC17H19Cl2N3O
Molecular Weight352.27 g/mol
Exact Mass351.09
IUPAC NameN-[[4-(2,4-dichlorophenyl)oxan-4-yl]methyl]-6-methylpyrazin-2-amine
SMILESCc1cncc(NCC2(c3ccc(Cl)cc3Cl)CCOCC2)n1
InChIInChI=1S/C17H19Cl2N3O/c1-12-9-20-10-16(22-12)21-11-17(4-6-23-7-5-17)14-3-2-13(18)8-15(14)19/h2-3,8-10H,4-7,11H2,1H3,(H,21,22)
InChIKeyGDLAWDBIQSJTQP-UHFFFAOYSA-N
XLogP4.25
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.27
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]-6-methylpyridin-2-amine
CID 133482369
6-chloro-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]pyrazin-2-amine
CID 133272815
N-[[4-(5-chloro-2-methoxyphenyl)oxan-4-yl]methyl]-6-methyl-2-pyridin-3-ylpyrimidin-4-amine
CID 133274713
1-[[4-(2,4-dichlorophenyl)oxan-4-yl]methyl]-3-(2-hydroxyethyl)urea
CID 110904192
N-[[4-(5-chloro-2-methoxyphenyl)oxan-4-yl]methyl]-2-cyclopropylpyrimidin-4-amine
CID 133298913
N-[[4-(2,4-dichlorophenyl)oxan-4-yl]methyl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133272470
N-[2-[[4-(2,4-dichlorophenyl)oxan-4-yl]methylamino]-2-oxoethyl]butanamide
CID 86833800
3-[[4-(2,4-dichlorophenyl)oxan-4-yl]methylamino]oxolan-2-one
CID 56805422
N-[[4-(2-chlorophenyl)oxan-4-yl]methyl]-4-methyl-5-nitropyridin-2-amine
CID 133329622
2-amino-N-[[4-(2,4-dichlorophenyl)oxan-4-yl]methyl]-3-methoxypropanamide;hydrochloride
CID 120987373
6-chloro-N-[(4-methoxyoxan-4-yl)methyl]pyrazin-2-amine
CID 133400001
3,6-dimethyl-N-[(4-phenyloxan-4-yl)methyl]pyrazin-2-amine
CID 131920151

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2,4-dichlorophenyl)oxan-4-yl]methyl]-6-methylpyrazin-2-amine?
The IUPAC name of N-[[4-(2,4-dichlorophenyl)oxan-4-yl]methyl]-6-methylpyrazin-2-amine (CID 133468648) is N-[[4-(2,4-dichlorophenyl)oxan-4-yl]methyl]-6-methylpyrazin-2-amine.
What is the SMILES notation for N-[[4-(2,4-dichlorophenyl)oxan-4-yl]methyl]-6-methylpyrazin-2-amine?
The canonical SMILES for N-[[4-(2,4-dichlorophenyl)oxan-4-yl]methyl]-6-methylpyrazin-2-amine is Cc1cncc(NCC2(c3ccc(Cl)cc3Cl)CCOCC2)n1.
What is the InChIKey of N-[[4-(2,4-dichlorophenyl)oxan-4-yl]methyl]-6-methylpyrazin-2-amine?
The InChIKey is GDLAWDBIQSJTQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19Cl2N3O/c1-12-9-20-10-16(22-12)21-11-17(4-6-23-7-5-17)14-3-2-13(18)8-15(14)19/h2-3,8-10H,4-7,11H2,1H3,(H,21,22).
What are the key properties of N-[[4-(2,4-dichlorophenyl)oxan-4-yl]methyl]-6-methylpyrazin-2-amine?
N-[[4-(2,4-dichlorophenyl)oxan-4-yl]methyl]-6-methylpyrazin-2-amine has a molecular weight of 352.27 g/mol, XLogP of 4.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2,4-dichlorophenyl)oxan-4-yl]methyl]-6-methylpyrazin-2-amine is sourced from PubChem (CID 133468648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).