6-chloro-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]pyrazin-2-amine

C17H20ClN3O2 — CID 133272815

IUPAC6-chloro-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]pyrazin-2-amine
SMILESCOc1ccc(C2(CNc3cncc(Cl)n3)CCOCC2)cc1
InChIInChI=1S/C17H20ClN3O2/c1-22-14-4-2-13(3-5-14)17(6-8-23-9-7-17)12-20-16-11-19-10-15(18)21-16/h2-5,10-11H,6-9,12H2,1H3,(H,20,21)
InChIKeyKBPQDGQMPWWCQU-UHFFFAOYSA-N
MW333.82 g/mol
LogP3.30
Rot. Bonds5

About 6-chloro-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]pyrazin-2-amine

6-chloro-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]pyrazin-2-amine (PubChem CID 133272815) has the molecular formula C17H20ClN3O2 and a molecular weight of 333.82 g/mol. Its IUPAC name is 6-chloro-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]pyrazin-2-amine.

Molecular Properties

Compound Name6-chloro-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]pyrazin-2-amine
PubChem CID133272815
Molecular FormulaC17H20ClN3O2
Molecular Weight333.82 g/mol
Exact Mass333.12
IUPAC Name6-chloro-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]pyrazin-2-amine
SMILESCOc1ccc(C2(CNc3cncc(Cl)n3)CCOCC2)cc1
InChIInChI=1S/C17H20ClN3O2/c1-22-14-4-2-13(3-5-14)17(6-8-23-9-7-17)12-20-16-11-19-10-15(18)21-16/h2-5,10-11H,6-9,12H2,1H3,(H,20,21)
InChIKeyKBPQDGQMPWWCQU-UHFFFAOYSA-N
XLogP3.30
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.82
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-chloro-N-[(4-methoxyoxan-4-yl)methyl]pyrazin-2-amine
CID 133400001
6-chloro-N-[(3-methoxyoxolan-3-yl)methyl]pyrazin-2-amine
CID 104705608
4-chloro-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]benzamide
CID 40617546
5-chloro-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]furan-2-carboxamide
CID 86836755
N-[[4-(2,4-dichlorophenyl)oxan-4-yl]methyl]-6-methylpyrazin-2-amine
CID 133468648
2,5-dimethoxy-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]benzenesulfonamide
CID 27450418
6-ethyl-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]thieno[2,3-d]pyrimidin-4-amine
CID 133272873
N'-(2-chlorophenyl)-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]oxamide
CID 27452218
5-bromo-2-chloro-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]benzamide
CID 27448908
6-chloro-N-[2-(4-methoxyphenoxy)propyl]pyrazin-2-amine
CID 133323999
2-chloro-6-fluoro-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]benzamide
CID 27448939
1-(4-methoxyphenyl)-3-[[4-(4-methylphenyl)oxan-4-yl]methyl]urea
CID 75538687

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]pyrazin-2-amine?
The IUPAC name of 6-chloro-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]pyrazin-2-amine (CID 133272815) is 6-chloro-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]pyrazin-2-amine.
What is the SMILES notation for 6-chloro-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]pyrazin-2-amine?
The canonical SMILES for 6-chloro-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]pyrazin-2-amine is COc1ccc(C2(CNc3cncc(Cl)n3)CCOCC2)cc1.
What is the InChIKey of 6-chloro-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]pyrazin-2-amine?
The InChIKey is KBPQDGQMPWWCQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3O2/c1-22-14-4-2-13(3-5-14)17(6-8-23-9-7-17)12-20-16-11-19-10-15(18)21-16/h2-5,10-11H,6-9,12H2,1H3,(H,20,21).
What are the key properties of 6-chloro-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]pyrazin-2-amine?
6-chloro-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]pyrazin-2-amine has a molecular weight of 333.82 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]pyrazin-2-amine is sourced from PubChem (CID 133272815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).