3,6-dimethyl-N-[(4-phenyloxan-4-yl)methyl]pyrazin-2-amine

C18H23N3O — CID 131920151

IUPAC3,6-dimethyl-N-[(4-phenyloxan-4-yl)methyl]pyrazin-2-amine
SMILESCc1cnc(C)c(NCC2(c3ccccc3)CCOCC2)n1
InChIInChI=1S/C18H23N3O/c1-14-12-19-15(2)17(21-14)20-13-18(8-10-22-11-9-18)16-6-4-3-5-7-16/h3-7,12H,8-11,13H2,1-2H3,(H,20,21)
InChIKeyRKJLSLQEJVQKPT-UHFFFAOYSA-N
MW297.40 g/mol
LogP3.25
Rot. Bonds4

About 3,6-dimethyl-N-[(4-phenyloxan-4-yl)methyl]pyrazin-2-amine

3,6-dimethyl-N-[(4-phenyloxan-4-yl)methyl]pyrazin-2-amine (PubChem CID 131920151) has the molecular formula C18H23N3O and a molecular weight of 297.40 g/mol. Its IUPAC name is 3,6-dimethyl-N-[(4-phenyloxan-4-yl)methyl]pyrazin-2-amine.

Molecular Properties

Compound Name3,6-dimethyl-N-[(4-phenyloxan-4-yl)methyl]pyrazin-2-amine
PubChem CID131920151
Molecular FormulaC18H23N3O
Molecular Weight297.40 g/mol
Exact Mass297.18
IUPAC Name3,6-dimethyl-N-[(4-phenyloxan-4-yl)methyl]pyrazin-2-amine
SMILESCc1cnc(C)c(NCC2(c3ccccc3)CCOCC2)n1
InChIInChI=1S/C18H23N3O/c1-14-12-19-15(2)17(21-14)20-13-18(8-10-22-11-9-18)16-6-4-3-5-7-16/h3-7,12H,8-11,13H2,1-2H3,(H,20,21)
InChIKeyRKJLSLQEJVQKPT-UHFFFAOYSA-N
XLogP3.25
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-[(4-phenyloxan-4-yl)methyl]pyrazolo[1,5-a]pyrazin-4-amine
CID 133489669
5-methyl-4-[(4-phenyloxan-4-yl)methylamino]thieno[2,3-d]pyrimidine-6-carboxylic acid
CID 118760154
N-[(4-phenyloxan-4-yl)methyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine
CID 19578460
3,6-dimethyl-N-phenylpyrazin-2-amine
CID 518389
2-methyl-1-[(1-phenylcyclopropyl)methyl]-3-[(4-phenyloxan-4-yl)methyl]guanidine
CID 111855636
N-[(4-phenyloxan-4-yl)methyl]-8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2,4,6-tetraen-3-amine
CID 19578445
N-butyl-N,5-dimethyl-4-[(4-phenyloxan-4-yl)methylamino]thieno[2,3-d]pyrimidine-6-carboxamide
CID 42370274
N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]-6-methylpyridin-2-amine
CID 133482369
N,5-dimethyl-4-[(4-phenyloxan-4-yl)methylamino]-N-(1,3-thiazol-2-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 26343814
2,4,5-trimethyl-N-[(4-phenyloxan-4-yl)methyl]benzenesulfonamide
CID 27450272
6-[2-(1H-benzimidazol-2-yl)ethyl]-2-methyl-N-[(4-phenyloxan-4-yl)methyl]pyrimidin-4-amine
CID 46958545
N-[(1-phenylcyclopropyl)methyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
CID 100657928

Frequently Asked Questions

What is the IUPAC name of 3,6-dimethyl-N-[(4-phenyloxan-4-yl)methyl]pyrazin-2-amine?
The IUPAC name of 3,6-dimethyl-N-[(4-phenyloxan-4-yl)methyl]pyrazin-2-amine (CID 131920151) is 3,6-dimethyl-N-[(4-phenyloxan-4-yl)methyl]pyrazin-2-amine.
What is the SMILES notation for 3,6-dimethyl-N-[(4-phenyloxan-4-yl)methyl]pyrazin-2-amine?
The canonical SMILES for 3,6-dimethyl-N-[(4-phenyloxan-4-yl)methyl]pyrazin-2-amine is Cc1cnc(C)c(NCC2(c3ccccc3)CCOCC2)n1.
What is the InChIKey of 3,6-dimethyl-N-[(4-phenyloxan-4-yl)methyl]pyrazin-2-amine?
The InChIKey is RKJLSLQEJVQKPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O/c1-14-12-19-15(2)17(21-14)20-13-18(8-10-22-11-9-18)16-6-4-3-5-7-16/h3-7,12H,8-11,13H2,1-2H3,(H,20,21).
What are the key properties of 3,6-dimethyl-N-[(4-phenyloxan-4-yl)methyl]pyrazin-2-amine?
3,6-dimethyl-N-[(4-phenyloxan-4-yl)methyl]pyrazin-2-amine has a molecular weight of 297.40 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethyl-N-[(4-phenyloxan-4-yl)methyl]pyrazin-2-amine is sourced from PubChem (CID 131920151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).