3-N-(oxan-4-yl)-5-pyrimidin-5-ylpyrazine-2,3-diamine

C13H16N6O — CID 126474497

IUPAC3-N-(oxan-4-yl)-5-pyrimidin-5-ylpyrazine-2,3-diamine
SMILESNc1ncc(-c2cncnc2)nc1NC1CCOCC1
InChIInChI=1S/C13H16N6O/c14-12-13(18-10-1-3-20-4-2-10)19-11(7-17-12)9-5-15-8-16-6-9/h5-8,10H,1-4H2,(H2,14,17)(H,18,19)
InChIKeyCOBHUMDARLNFMK-UHFFFAOYSA-N
MW272.31 g/mol
LogP1.11
Rot. Bonds3

About 3-N-(oxan-4-yl)-5-pyrimidin-5-ylpyrazine-2,3-diamine

3-N-(oxan-4-yl)-5-pyrimidin-5-ylpyrazine-2,3-diamine (PubChem CID 126474497) has the molecular formula C13H16N6O and a molecular weight of 272.31 g/mol. Its IUPAC name is 3-N-(oxan-4-yl)-5-pyrimidin-5-ylpyrazine-2,3-diamine.

Molecular Properties

Compound Name3-N-(oxan-4-yl)-5-pyrimidin-5-ylpyrazine-2,3-diamine
PubChem CID126474497
Molecular FormulaC13H16N6O
Molecular Weight272.31 g/mol
Exact Mass272.14
IUPAC Name3-N-(oxan-4-yl)-5-pyrimidin-5-ylpyrazine-2,3-diamine
SMILESNc1ncc(-c2cncnc2)nc1NC1CCOCC1
InChIInChI=1S/C13H16N6O/c14-12-13(18-10-1-3-20-4-2-10)19-11(7-17-12)9-5-15-8-16-6-9/h5-8,10H,1-4H2,(H2,14,17)(H,18,19)
InChIKeyCOBHUMDARLNFMK-UHFFFAOYSA-N
XLogP1.11
TPSA98.84 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-[[3-amino-6-(4-fluorophenyl)pyrazin-2-yl]amino]cyclohexan-1-ol
CID 126473460
3-N-[(3R)-1-methylpiperidin-3-yl]-5-pyridin-4-ylpyrazine-2,3-diamine
CID 129388311
2-N-(oxan-4-yl)pyridine-2,3-diamine
CID 43609746
3-bromo-4-methyl-2-N-(oxan-4-yl)pyridine-2,5-diamine
CID 104506459
[5-cyano-6-(oxan-4-ylamino)-3-pyridinyl]boronic acid
CID 140760770
CID 145224151
CID 145224151
N-(oxolan-3-yl)pyrimidin-5-amine
CID 83480544
N-cyclopropyl-6-pyrimidin-5-ylpyrimidin-4-amine
CID 141185839
2-N-(oxan-4-yl)-3-phenylpyrido[3,4-b]pyrazine-2,5-diamine
CID 175892764
5-(5-amino-2-methylphenyl)-2-(oxan-4-ylamino)pyridine-3-carbonitrile
CID 118946273
4-N-(oxan-4-yl)pyrimidine-2,4-diamine
CID 80790022
2-ethyl-5-methyl-4-N-(oxan-4-yl)pyrimidine-4,6-diamine
CID 80994083

Frequently Asked Questions

What is the IUPAC name of 3-N-(oxan-4-yl)-5-pyrimidin-5-ylpyrazine-2,3-diamine?
The IUPAC name of 3-N-(oxan-4-yl)-5-pyrimidin-5-ylpyrazine-2,3-diamine (CID 126474497) is 3-N-(oxan-4-yl)-5-pyrimidin-5-ylpyrazine-2,3-diamine.
What is the SMILES notation for 3-N-(oxan-4-yl)-5-pyrimidin-5-ylpyrazine-2,3-diamine?
The canonical SMILES for 3-N-(oxan-4-yl)-5-pyrimidin-5-ylpyrazine-2,3-diamine is Nc1ncc(-c2cncnc2)nc1NC1CCOCC1.
What is the InChIKey of 3-N-(oxan-4-yl)-5-pyrimidin-5-ylpyrazine-2,3-diamine?
The InChIKey is COBHUMDARLNFMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N6O/c14-12-13(18-10-1-3-20-4-2-10)19-11(7-17-12)9-5-15-8-16-6-9/h5-8,10H,1-4H2,(H2,14,17)(H,18,19).
What are the key properties of 3-N-(oxan-4-yl)-5-pyrimidin-5-ylpyrazine-2,3-diamine?
3-N-(oxan-4-yl)-5-pyrimidin-5-ylpyrazine-2,3-diamine has a molecular weight of 272.31 g/mol, XLogP of 1.11, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(oxan-4-yl)-5-pyrimidin-5-ylpyrazine-2,3-diamine is sourced from PubChem (CID 126474497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).