N-(oxan-3-yl)-4-pyrazin-2-ylpyrimidin-2-amine

C13H15N5O — CID 128559210

IUPACN-(oxan-3-yl)-4-pyrazin-2-ylpyrimidin-2-amine
SMILESc1cnc(-c2ccnc(NC3CCCOC3)n2)cn1
InChIInChI=1S/C13H15N5O/c1-2-10(9-19-7-1)17-13-16-4-3-11(18-13)12-8-14-5-6-15-12/h3-6,8,10H,1-2,7,9H2,(H,16,17,18)
InChIKeyKFVVCYXVDUOEFO-UHFFFAOYSA-N
MW257.30 g/mol
LogP1.52
Rot. Bonds3

About N-(oxan-3-yl)-4-pyrazin-2-ylpyrimidin-2-amine

N-(oxan-3-yl)-4-pyrazin-2-ylpyrimidin-2-amine (PubChem CID 128559210) has the molecular formula C13H15N5O and a molecular weight of 257.30 g/mol. Its IUPAC name is N-(oxan-3-yl)-4-pyrazin-2-ylpyrimidin-2-amine.

Molecular Properties

Compound NameN-(oxan-3-yl)-4-pyrazin-2-ylpyrimidin-2-amine
PubChem CID128559210
Molecular FormulaC13H15N5O
Molecular Weight257.30 g/mol
Exact Mass257.13
IUPAC NameN-(oxan-3-yl)-4-pyrazin-2-ylpyrimidin-2-amine
SMILESc1cnc(-c2ccnc(NC3CCCOC3)n2)cn1
InChIInChI=1S/C13H15N5O/c1-2-10(9-19-7-1)17-13-16-4-3-11(18-13)12-8-14-5-6-15-12/h3-6,8,10H,1-2,7,9H2,(H,16,17,18)
InChIKeyKFVVCYXVDUOEFO-UHFFFAOYSA-N
XLogP1.52
TPSA72.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.30
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(oxan-3-yl)-4-pyrazin-2-ylpyrimidin-2-amine?
The IUPAC name of N-(oxan-3-yl)-4-pyrazin-2-ylpyrimidin-2-amine (CID 128559210) is N-(oxan-3-yl)-4-pyrazin-2-ylpyrimidin-2-amine.
What is the SMILES notation for N-(oxan-3-yl)-4-pyrazin-2-ylpyrimidin-2-amine?
The canonical SMILES for N-(oxan-3-yl)-4-pyrazin-2-ylpyrimidin-2-amine is c1cnc(-c2ccnc(NC3CCCOC3)n2)cn1.
What is the InChIKey of N-(oxan-3-yl)-4-pyrazin-2-ylpyrimidin-2-amine?
The InChIKey is KFVVCYXVDUOEFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O/c1-2-10(9-19-7-1)17-13-16-4-3-11(18-13)12-8-14-5-6-15-12/h3-6,8,10H,1-2,7,9H2,(H,16,17,18).
What are the key properties of N-(oxan-3-yl)-4-pyrazin-2-ylpyrimidin-2-amine?
N-(oxan-3-yl)-4-pyrazin-2-ylpyrimidin-2-amine has a molecular weight of 257.30 g/mol, XLogP of 1.52, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxan-3-yl)-4-pyrazin-2-ylpyrimidin-2-amine is sourced from PubChem (CID 128559210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).