6-chloro-N-[[2-(4-methylphenyl)oxan-3-yl]methyl]pyrazin-2-amine

C17H20ClN3O — CID 133332203

IUPAC6-chloro-N-[[2-(4-methylphenyl)oxan-3-yl]methyl]pyrazin-2-amine
SMILESCc1ccc(C2OCCCC2CNc2cncc(Cl)n2)cc1
InChIInChI=1S/C17H20ClN3O/c1-12-4-6-13(7-5-12)17-14(3-2-8-22-17)9-20-16-11-19-10-15(18)21-16/h4-7,10-11,14,17H,2-3,8-9H2,1H3,(H,20,21)
InChIKeyQYJJBILVLPYRJI-UHFFFAOYSA-N
MW317.82 g/mol
LogP4.02
Rot. Bonds4

About 6-chloro-N-[[2-(4-methylphenyl)oxan-3-yl]methyl]pyrazin-2-amine

6-chloro-N-[[2-(4-methylphenyl)oxan-3-yl]methyl]pyrazin-2-amine (PubChem CID 133332203) has the molecular formula C17H20ClN3O and a molecular weight of 317.82 g/mol. Its IUPAC name is 6-chloro-N-[[2-(4-methylphenyl)oxan-3-yl]methyl]pyrazin-2-amine.

Molecular Properties

Compound Name6-chloro-N-[[2-(4-methylphenyl)oxan-3-yl]methyl]pyrazin-2-amine
PubChem CID133332203
Molecular FormulaC17H20ClN3O
Molecular Weight317.82 g/mol
Exact Mass317.13
IUPAC Name6-chloro-N-[[2-(4-methylphenyl)oxan-3-yl]methyl]pyrazin-2-amine
SMILESCc1ccc(C2OCCCC2CNc2cncc(Cl)n2)cc1
InChIInChI=1S/C17H20ClN3O/c1-12-4-6-13(7-5-12)17-14(3-2-8-22-17)9-20-16-11-19-10-15(18)21-16/h4-7,10-11,14,17H,2-3,8-9H2,1H3,(H,20,21)
InChIKeyQYJJBILVLPYRJI-UHFFFAOYSA-N
XLogP4.02
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.82
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,6-dimethyl-N-[[2-(4-methylphenyl)oxan-3-yl]methyl]pyrimidin-4-amine
CID 133332206
[6-[[2-(4-methylphenyl)oxan-3-yl]methylamino]-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 133332166
1,2-dimethyl-3-[[2-(4-methylphenyl)oxan-3-yl]methyl]guanidine
CID 111478585
2-methyl-1-[[2-(4-methylphenyl)oxan-3-yl]methyl]guanidine
CID 111478573
3-[(dimethylsulfamoylamino)methyl]-2-(4-methylphenyl)oxane
CID 71992982
1,3-dimethyl-N-[[2-(4-methylphenyl)oxan-3-yl]methyl]-4-nitropyrazol-5-amine
CID 133332154
2-methyl-3-[[2-(4-methylphenyl)oxan-3-yl]methylamino]-3-oxopropanoic acid
CID 122065691
1-(5-methyl-2-pyridinyl)-3-[[(2S,3S)-2-phenyloxan-3-yl]methyl]urea
CID 129398613
2-(difluoromethylsulfonyl)-N-[[2-(4-methylphenyl)oxan-3-yl]methyl]aniline
CID 133332193
N-ethyl-2-[[ethylamino-[[2-(4-methylphenyl)oxan-3-yl]methylamino]methylidene]amino]acetamide;hydroiodide
CID 111619883
2,2-dimethyl-N-[2-[[N'-methyl-N-[[2-(4-methylphenyl)oxan-3-yl]methyl]carbamimidoyl]amino]ethyl]propanamide
CID 111619624
(2S,3R)-2-(4-methylphenyl)oxan-3-amine
CID 95757199

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[[2-(4-methylphenyl)oxan-3-yl]methyl]pyrazin-2-amine?
The IUPAC name of 6-chloro-N-[[2-(4-methylphenyl)oxan-3-yl]methyl]pyrazin-2-amine (CID 133332203) is 6-chloro-N-[[2-(4-methylphenyl)oxan-3-yl]methyl]pyrazin-2-amine.
What is the SMILES notation for 6-chloro-N-[[2-(4-methylphenyl)oxan-3-yl]methyl]pyrazin-2-amine?
The canonical SMILES for 6-chloro-N-[[2-(4-methylphenyl)oxan-3-yl]methyl]pyrazin-2-amine is Cc1ccc(C2OCCCC2CNc2cncc(Cl)n2)cc1.
What is the InChIKey of 6-chloro-N-[[2-(4-methylphenyl)oxan-3-yl]methyl]pyrazin-2-amine?
The InChIKey is QYJJBILVLPYRJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3O/c1-12-4-6-13(7-5-12)17-14(3-2-8-22-17)9-20-16-11-19-10-15(18)21-16/h4-7,10-11,14,17H,2-3,8-9H2,1H3,(H,20,21).
What are the key properties of 6-chloro-N-[[2-(4-methylphenyl)oxan-3-yl]methyl]pyrazin-2-amine?
6-chloro-N-[[2-(4-methylphenyl)oxan-3-yl]methyl]pyrazin-2-amine has a molecular weight of 317.82 g/mol, XLogP of 4.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[[2-(4-methylphenyl)oxan-3-yl]methyl]pyrazin-2-amine is sourced from PubChem (CID 133332203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).