5-tert-butyl-N-[(4-methoxyoxan-4-yl)methyl]pyrazin-2-amine

C15H25N3O2 — CID 154778748

IUPAC5-tert-butyl-N-[(4-methoxyoxan-4-yl)methyl]pyrazin-2-amine
SMILESCOC1(CNc2cnc(C(C)(C)C)cn2)CCOCC1
InChIInChI=1S/C15H25N3O2/c1-14(2,3)12-9-17-13(10-16-12)18-11-15(19-4)5-7-20-8-6-15/h9-10H,5-8,11H2,1-4H3,(H,17,18)
InChIKeyBPLBMHARMHVVGI-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.38
Rot. Bonds4

About 5-tert-butyl-N-[(4-methoxyoxan-4-yl)methyl]pyrazin-2-amine

5-tert-butyl-N-[(4-methoxyoxan-4-yl)methyl]pyrazin-2-amine (PubChem CID 154778748) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is 5-tert-butyl-N-[(4-methoxyoxan-4-yl)methyl]pyrazin-2-amine.

Molecular Properties

Compound Name5-tert-butyl-N-[(4-methoxyoxan-4-yl)methyl]pyrazin-2-amine
PubChem CID154778748
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Name5-tert-butyl-N-[(4-methoxyoxan-4-yl)methyl]pyrazin-2-amine
SMILESCOC1(CNc2cnc(C(C)(C)C)cn2)CCOCC1
InChIInChI=1S/C15H25N3O2/c1-14(2,3)12-9-17-13(10-16-12)18-11-15(19-4)5-7-20-8-6-15/h9-10H,5-8,11H2,1-4H3,(H,17,18)
InChIKeyBPLBMHARMHVVGI-UHFFFAOYSA-N
XLogP2.38
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.38
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
5-[(3-methoxyoxolan-3-yl)methylamino]pyrazine-2-carbothioamide
CID 104761862
2-cyclopropyl-N-[(4-methoxyoxan-4-yl)methyl]pyrimidin-4-amine
CID 133400059
6-methoxy-N-[(3-methoxyoxolan-3-yl)methyl]pyridin-2-amine
CID 104762670
4-N-[(3-methoxyoxolan-3-yl)methyl]-6-N-methylpyrimidine-4,6-diamine
CID 104767329
6-chloro-N-[(3-methoxyoxolan-3-yl)methyl]pyrazin-2-amine
CID 104705608
5-[(1-methoxycyclobutyl)methylamino]pyrazine-2-carbonitrile
CID 104918166
6-[(4-methoxyoxan-4-yl)methylamino]-N-methylpyridazine-3-carboxamide
CID 133400022
4-N-[(3-methoxyoxolan-3-yl)methyl]-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114565777
N-(oxan-4-ylmethyl)-5-(trifluoromethyl)pyrazin-2-amine
CID 141286283
6-(ethylamino)-N-[(3-methoxyoxolan-3-yl)methyl]pyridine-3-sulfonamide
CID 104765482
5-chloro-2-[(3-methoxyoxolan-3-yl)methylamino]pyridine-4-carboxylic acid
CID 114919956

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-N-[(4-methoxyoxan-4-yl)methyl]pyrazin-2-amine?
The IUPAC name of 5-tert-butyl-N-[(4-methoxyoxan-4-yl)methyl]pyrazin-2-amine (CID 154778748) is 5-tert-butyl-N-[(4-methoxyoxan-4-yl)methyl]pyrazin-2-amine.
What is the SMILES notation for 5-tert-butyl-N-[(4-methoxyoxan-4-yl)methyl]pyrazin-2-amine?
The canonical SMILES for 5-tert-butyl-N-[(4-methoxyoxan-4-yl)methyl]pyrazin-2-amine is COC1(CNc2cnc(C(C)(C)C)cn2)CCOCC1.
What is the InChIKey of 5-tert-butyl-N-[(4-methoxyoxan-4-yl)methyl]pyrazin-2-amine?
The InChIKey is BPLBMHARMHVVGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-14(2,3)12-9-17-13(10-16-12)18-11-15(19-4)5-7-20-8-6-15/h9-10H,5-8,11H2,1-4H3,(H,17,18).
What are the key properties of 5-tert-butyl-N-[(4-methoxyoxan-4-yl)methyl]pyrazin-2-amine?
5-tert-butyl-N-[(4-methoxyoxan-4-yl)methyl]pyrazin-2-amine has a molecular weight of 279.38 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-N-[(4-methoxyoxan-4-yl)methyl]pyrazin-2-amine is sourced from PubChem (CID 154778748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).