6-[4-(aminomethyl)piperidin-1-yl]-N-pyrazin-2-ylpyrimidin-4-amine

C14H19N7 — CID 42610049

IUPAC6-[4-(aminomethyl)piperidin-1-yl]-N-pyrazin-2-ylpyrimidin-4-amine
SMILESNCC1CCN(c2cc(Nc3cnccn3)ncn2)CC1
InChIInChI=1S/C14H19N7/c15-8-11-1-5-21(6-2-11)14-7-12(18-10-19-14)20-13-9-16-3-4-17-13/h3-4,7,9-11H,1-2,5-6,8,15H2,(H,17,18,19,20)
InChIKeyUEJNUOFTEOTEIV-UHFFFAOYSA-N
MW285.35 g/mol
LogP1.19
Rot. Bonds4

About 6-[4-(aminomethyl)piperidin-1-yl]-N-pyrazin-2-ylpyrimidin-4-amine

6-[4-(aminomethyl)piperidin-1-yl]-N-pyrazin-2-ylpyrimidin-4-amine (PubChem CID 42610049) has the molecular formula C14H19N7 and a molecular weight of 285.35 g/mol. Its IUPAC name is 6-[4-(aminomethyl)piperidin-1-yl]-N-pyrazin-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-[4-(aminomethyl)piperidin-1-yl]-N-pyrazin-2-ylpyrimidin-4-amine
PubChem CID42610049
Molecular FormulaC14H19N7
Molecular Weight285.35 g/mol
Exact Mass285.17
IUPAC Name6-[4-(aminomethyl)piperidin-1-yl]-N-pyrazin-2-ylpyrimidin-4-amine
SMILESNCC1CCN(c2cc(Nc3cnccn3)ncn2)CC1
InChIInChI=1S/C14H19N7/c15-8-11-1-5-21(6-2-11)14-7-12(18-10-19-14)20-13-9-16-3-4-17-13/h3-4,7,9-11H,1-2,5-6,8,15H2,(H,17,18,19,20)
InChIKeyUEJNUOFTEOTEIV-UHFFFAOYSA-N
XLogP1.19
TPSA92.85 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(aminomethyl)piperidin-1-yl]-N-pyrazin-2-ylpyrimidin-4-amine?
The IUPAC name of 6-[4-(aminomethyl)piperidin-1-yl]-N-pyrazin-2-ylpyrimidin-4-amine (CID 42610049) is 6-[4-(aminomethyl)piperidin-1-yl]-N-pyrazin-2-ylpyrimidin-4-amine.
What is the SMILES notation for 6-[4-(aminomethyl)piperidin-1-yl]-N-pyrazin-2-ylpyrimidin-4-amine?
The canonical SMILES for 6-[4-(aminomethyl)piperidin-1-yl]-N-pyrazin-2-ylpyrimidin-4-amine is NCC1CCN(c2cc(Nc3cnccn3)ncn2)CC1.
What is the InChIKey of 6-[4-(aminomethyl)piperidin-1-yl]-N-pyrazin-2-ylpyrimidin-4-amine?
The InChIKey is UEJNUOFTEOTEIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N7/c15-8-11-1-5-21(6-2-11)14-7-12(18-10-19-14)20-13-9-16-3-4-17-13/h3-4,7,9-11H,1-2,5-6,8,15H2,(H,17,18,19,20).
What are the key properties of 6-[4-(aminomethyl)piperidin-1-yl]-N-pyrazin-2-ylpyrimidin-4-amine?
6-[4-(aminomethyl)piperidin-1-yl]-N-pyrazin-2-ylpyrimidin-4-amine has a molecular weight of 285.35 g/mol, XLogP of 1.19, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(aminomethyl)piperidin-1-yl]-N-pyrazin-2-ylpyrimidin-4-amine is sourced from PubChem (CID 42610049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).