[1-(2-pyrazin-2-yl-6-pyridin-3-ylpyrimidin-4-yl)piperidin-4-yl]methanamine

C19H21N7 — CID 56768273

IUPAC[1-(2-pyrazin-2-yl-6-pyridin-3-ylpyrimidin-4-yl)piperidin-4-yl]methanamine
SMILESNCC1CCN(c2cc(-c3cccnc3)nc(-c3cnccn3)n2)CC1
InChIInChI=1S/C19H21N7/c20-11-14-3-8-26(9-4-14)18-10-16(15-2-1-5-21-12-15)24-19(25-18)17-13-22-6-7-23-17/h1-2,5-7,10,12-14H,3-4,8-9,11,20H2
InChIKeyLLBXBAHHVHURLE-UHFFFAOYSA-N
MW347.43 g/mol
LogP2.17
Rot. Bonds4

About [1-(2-pyrazin-2-yl-6-pyridin-3-ylpyrimidin-4-yl)piperidin-4-yl]methanamine

[1-(2-pyrazin-2-yl-6-pyridin-3-ylpyrimidin-4-yl)piperidin-4-yl]methanamine (PubChem CID 56768273) has the molecular formula C19H21N7 and a molecular weight of 347.43 g/mol. Its IUPAC name is [1-(2-pyrazin-2-yl-6-pyridin-3-ylpyrimidin-4-yl)piperidin-4-yl]methanamine.

Molecular Properties

Compound Name[1-(2-pyrazin-2-yl-6-pyridin-3-ylpyrimidin-4-yl)piperidin-4-yl]methanamine
PubChem CID56768273
Molecular FormulaC19H21N7
Molecular Weight347.43 g/mol
Exact Mass347.19
IUPAC Name[1-(2-pyrazin-2-yl-6-pyridin-3-ylpyrimidin-4-yl)piperidin-4-yl]methanamine
SMILESNCC1CCN(c2cc(-c3cccnc3)nc(-c3cnccn3)n2)CC1
InChIInChI=1S/C19H21N7/c20-11-14-3-8-26(9-4-14)18-10-16(15-2-1-5-21-12-15)24-19(25-18)17-13-22-6-7-23-17/h1-2,5-7,10,12-14H,3-4,8-9,11,20H2
InChIKeyLLBXBAHHVHURLE-UHFFFAOYSA-N
XLogP2.17
TPSA93.71 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.43
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [1-(2-pyrazin-2-yl-6-pyridin-3-ylpyrimidin-4-yl)piperidin-4-yl]methanamine?
The IUPAC name of [1-(2-pyrazin-2-yl-6-pyridin-3-ylpyrimidin-4-yl)piperidin-4-yl]methanamine (CID 56768273) is [1-(2-pyrazin-2-yl-6-pyridin-3-ylpyrimidin-4-yl)piperidin-4-yl]methanamine.
What is the SMILES notation for [1-(2-pyrazin-2-yl-6-pyridin-3-ylpyrimidin-4-yl)piperidin-4-yl]methanamine?
The canonical SMILES for [1-(2-pyrazin-2-yl-6-pyridin-3-ylpyrimidin-4-yl)piperidin-4-yl]methanamine is NCC1CCN(c2cc(-c3cccnc3)nc(-c3cnccn3)n2)CC1.
What is the InChIKey of [1-(2-pyrazin-2-yl-6-pyridin-3-ylpyrimidin-4-yl)piperidin-4-yl]methanamine?
The InChIKey is LLBXBAHHVHURLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N7/c20-11-14-3-8-26(9-4-14)18-10-16(15-2-1-5-21-12-15)24-19(25-18)17-13-22-6-7-23-17/h1-2,5-7,10,12-14H,3-4,8-9,11,20H2.
What are the key properties of [1-(2-pyrazin-2-yl-6-pyridin-3-ylpyrimidin-4-yl)piperidin-4-yl]methanamine?
[1-(2-pyrazin-2-yl-6-pyridin-3-ylpyrimidin-4-yl)piperidin-4-yl]methanamine has a molecular weight of 347.43 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-pyrazin-2-yl-6-pyridin-3-ylpyrimidin-4-yl)piperidin-4-yl]methanamine is sourced from PubChem (CID 56768273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).