3-N,3-N-dimethyl-2-N-(2-phenyloxan-4-yl)pyrazine-2,3-diamine

C17H22N4O — CID 133475832

IUPAC3-N,3-N-dimethyl-2-N-(2-phenyloxan-4-yl)pyrazine-2,3-diamine
SMILESCN(C)c1nccnc1NC1CCOC(c2ccccc2)C1
InChIInChI=1S/C17H22N4O/c1-21(2)17-16(18-9-10-19-17)20-14-8-11-22-15(12-14)13-6-4-3-5-7-13/h3-7,9-10,14-15H,8,11-12H2,1-2H3,(H,18,20)
InChIKeyISGWIMKDYCMGKG-UHFFFAOYSA-N
MW298.39 g/mol
LogP2.87
Rot. Bonds4

About 3-N,3-N-dimethyl-2-N-(2-phenyloxan-4-yl)pyrazine-2,3-diamine

3-N,3-N-dimethyl-2-N-(2-phenyloxan-4-yl)pyrazine-2,3-diamine (PubChem CID 133475832) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is 3-N,3-N-dimethyl-2-N-(2-phenyloxan-4-yl)pyrazine-2,3-diamine.

Molecular Properties

Compound Name3-N,3-N-dimethyl-2-N-(2-phenyloxan-4-yl)pyrazine-2,3-diamine
PubChem CID133475832
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC Name3-N,3-N-dimethyl-2-N-(2-phenyloxan-4-yl)pyrazine-2,3-diamine
SMILESCN(C)c1nccnc1NC1CCOC(c2ccccc2)C1
InChIInChI=1S/C17H22N4O/c1-21(2)17-16(18-9-10-19-17)20-14-8-11-22-15(12-14)13-6-4-3-5-7-13/h3-7,9-10,14-15H,8,11-12H2,1-2H3,(H,18,20)
InChIKeyISGWIMKDYCMGKG-UHFFFAOYSA-N
XLogP2.87
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4,6-dimethyl-N-(2-phenyloxan-4-yl)pyrimidin-2-amine
CID 133474071
4-methoxy-N-[(2S,4R)-2-phenyloxan-4-yl]pyrimidin-2-amine
CID 124595523
5,6-diethyl-3-[(2-phenyloxan-4-yl)amino]pyridazine-4-carbonitrile
CID 133474153
N-(2-phenyloxan-4-yl)quinolin-2-amine
CID 133474130
4-phenoxy-N-(2-phenyloxan-4-yl)pyrimidin-2-amine
CID 167852738
2,3-dihydroindol-1-yl-[2-[(2-phenyloxan-4-yl)amino]-3-pyridinyl]methanone
CID 133474291
3-N,3-N-dimethyl-2-N-[1-(2-phenylethyl)piperidin-4-yl]pyrazine-2,3-diamine
CID 135100926
N-(2-phenyloxan-4-yl)-2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 133474026
4-phenylmethoxy-N-(2-phenyloxan-4-yl)pyrimidin-2-amine
CID 133474099
6-chloro-N-(2-phenyloxan-4-yl)pyrazin-2-amine
CID 133474252
5-bromo-N-(2-phenyloxan-4-yl)pyridin-3-amine
CID 133474083
N-(2-phenyloxan-4-yl)-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-amine
CID 133474230

Frequently Asked Questions

What is the IUPAC name of 3-N,3-N-dimethyl-2-N-(2-phenyloxan-4-yl)pyrazine-2,3-diamine?
The IUPAC name of 3-N,3-N-dimethyl-2-N-(2-phenyloxan-4-yl)pyrazine-2,3-diamine (CID 133475832) is 3-N,3-N-dimethyl-2-N-(2-phenyloxan-4-yl)pyrazine-2,3-diamine.
What is the SMILES notation for 3-N,3-N-dimethyl-2-N-(2-phenyloxan-4-yl)pyrazine-2,3-diamine?
The canonical SMILES for 3-N,3-N-dimethyl-2-N-(2-phenyloxan-4-yl)pyrazine-2,3-diamine is CN(C)c1nccnc1NC1CCOC(c2ccccc2)C1.
What is the InChIKey of 3-N,3-N-dimethyl-2-N-(2-phenyloxan-4-yl)pyrazine-2,3-diamine?
The InChIKey is ISGWIMKDYCMGKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O/c1-21(2)17-16(18-9-10-19-17)20-14-8-11-22-15(12-14)13-6-4-3-5-7-13/h3-7,9-10,14-15H,8,11-12H2,1-2H3,(H,18,20).
What are the key properties of 3-N,3-N-dimethyl-2-N-(2-phenyloxan-4-yl)pyrazine-2,3-diamine?
3-N,3-N-dimethyl-2-N-(2-phenyloxan-4-yl)pyrazine-2,3-diamine has a molecular weight of 298.39 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N,3-N-dimethyl-2-N-(2-phenyloxan-4-yl)pyrazine-2,3-diamine is sourced from PubChem (CID 133475832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).