6-chloro-N-[2-methyl-4-[(3-methyloxetan-3-yl)methoxy]phenyl]pyrazin-2-amine

C16H18ClN3O2 — CID 91480037

IUPAC6-chloro-N-[2-methyl-4-[(3-methyloxetan-3-yl)methoxy]phenyl]pyrazin-2-amine
SMILESCc1cc(OCC2(C)COC2)ccc1Nc1cncc(Cl)n1
InChIInChI=1S/C16H18ClN3O2/c1-11-5-12(22-10-16(2)8-21-9-16)3-4-13(11)19-15-7-18-6-14(17)20-15/h3-7H,8-10H2,1-2H3,(H,19,20)
InChIKeyAYJULPHUZJLYFX-UHFFFAOYSA-N
MW319.79 g/mol
LogP3.60
Rot. Bonds5

About 6-chloro-N-[2-methyl-4-[(3-methyloxetan-3-yl)methoxy]phenyl]pyrazin-2-amine

6-chloro-N-[2-methyl-4-[(3-methyloxetan-3-yl)methoxy]phenyl]pyrazin-2-amine (PubChem CID 91480037) has the molecular formula C16H18ClN3O2 and a molecular weight of 319.79 g/mol. Its IUPAC name is 6-chloro-N-[2-methyl-4-[(3-methyloxetan-3-yl)methoxy]phenyl]pyrazin-2-amine.

Molecular Properties

Compound Name6-chloro-N-[2-methyl-4-[(3-methyloxetan-3-yl)methoxy]phenyl]pyrazin-2-amine
PubChem CID91480037
Molecular FormulaC16H18ClN3O2
Molecular Weight319.79 g/mol
Exact Mass319.11
IUPAC Name6-chloro-N-[2-methyl-4-[(3-methyloxetan-3-yl)methoxy]phenyl]pyrazin-2-amine
SMILESCc1cc(OCC2(C)COC2)ccc1Nc1cncc(Cl)n1
InChIInChI=1S/C16H18ClN3O2/c1-11-5-12(22-10-16(2)8-21-9-16)3-4-13(11)19-15-7-18-6-14(17)20-15/h3-7H,8-10H2,1-2H3,(H,19,20)
InChIKeyAYJULPHUZJLYFX-UHFFFAOYSA-N
XLogP3.60
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.79
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 6-(2,4-dimethylanilino)pyrazine-2-carboxylate
CID 66457941
6-(4-methoxy-2-methylanilino)pyridine-3-carboxylic acid
CID 55130145
2-N-(4-chloro-2-methylphenyl)pyrazine-2,6-diamine
CID 80648132
5-(4-chloro-2-methylanilino)-N-[(4-methoxyphenyl)methyl]pyrazine-2-carboxamide
CID 109282443
N-(4-chloro-2-methylphenyl)-4-methoxy-2-methylaniline
CID 139611066
6-chloro-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]pyrazin-2-amine
CID 133272815
4-N-(4-methoxy-2-methylphenyl)-2-N-methylpyrimidine-2,4-diamine
CID 80824739
6-chloro-N-[2-(2-methoxyethyl)phenyl]pyrazin-2-amine
CID 102907301
6-chloro-N-[(3-methyloxetan-3-yl)methyl]pyrazine-2-carboxamide
CID 106551343
5-chloro-2-hydrazinyl-N-(4-methoxy-2-methylphenyl)pyrimidin-4-amine
CID 80918932
4,5-dichloro-N-(4-methoxy-2-methylphenyl)-2-methylaniline
CID 139788451
6-chloro-N-(2,4,5-trifluorophenyl)pyrazin-2-amine
CID 62810763

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[2-methyl-4-[(3-methyloxetan-3-yl)methoxy]phenyl]pyrazin-2-amine?
The IUPAC name of 6-chloro-N-[2-methyl-4-[(3-methyloxetan-3-yl)methoxy]phenyl]pyrazin-2-amine (CID 91480037) is 6-chloro-N-[2-methyl-4-[(3-methyloxetan-3-yl)methoxy]phenyl]pyrazin-2-amine.
What is the SMILES notation for 6-chloro-N-[2-methyl-4-[(3-methyloxetan-3-yl)methoxy]phenyl]pyrazin-2-amine?
The canonical SMILES for 6-chloro-N-[2-methyl-4-[(3-methyloxetan-3-yl)methoxy]phenyl]pyrazin-2-amine is Cc1cc(OCC2(C)COC2)ccc1Nc1cncc(Cl)n1.
What is the InChIKey of 6-chloro-N-[2-methyl-4-[(3-methyloxetan-3-yl)methoxy]phenyl]pyrazin-2-amine?
The InChIKey is AYJULPHUZJLYFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O2/c1-11-5-12(22-10-16(2)8-21-9-16)3-4-13(11)19-15-7-18-6-14(17)20-15/h3-7H,8-10H2,1-2H3,(H,19,20).
What are the key properties of 6-chloro-N-[2-methyl-4-[(3-methyloxetan-3-yl)methoxy]phenyl]pyrazin-2-amine?
6-chloro-N-[2-methyl-4-[(3-methyloxetan-3-yl)methoxy]phenyl]pyrazin-2-amine has a molecular weight of 319.79 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[2-methyl-4-[(3-methyloxetan-3-yl)methoxy]phenyl]pyrazin-2-amine is sourced from PubChem (CID 91480037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).