1-(6-propyl-2-pyrazin-2-ylpyrimidin-4-yl)piperidin-4-amine

C16H22N6 — CID 56767139

IUPAC1-(6-propyl-2-pyrazin-2-ylpyrimidin-4-yl)piperidin-4-amine
SMILESCCCc1cc(N2CCC(N)CC2)nc(-c2cnccn2)n1
InChIInChI=1S/C16H22N6/c1-2-3-13-10-15(22-8-4-12(17)5-9-22)21-16(20-13)14-11-18-6-7-19-14/h6-7,10-12H,2-5,8-9,17H2,1H3
InChIKeyITILBARAIGCZRS-UHFFFAOYSA-N
MW298.39 g/mol
LogP1.81
Rot. Bonds4

About 1-(6-propyl-2-pyrazin-2-ylpyrimidin-4-yl)piperidin-4-amine

1-(6-propyl-2-pyrazin-2-ylpyrimidin-4-yl)piperidin-4-amine (PubChem CID 56767139) has the molecular formula C16H22N6 and a molecular weight of 298.39 g/mol. Its IUPAC name is 1-(6-propyl-2-pyrazin-2-ylpyrimidin-4-yl)piperidin-4-amine.

Molecular Properties

Compound Name1-(6-propyl-2-pyrazin-2-ylpyrimidin-4-yl)piperidin-4-amine
PubChem CID56767139
Molecular FormulaC16H22N6
Molecular Weight298.39 g/mol
Exact Mass298.19
IUPAC Name1-(6-propyl-2-pyrazin-2-ylpyrimidin-4-yl)piperidin-4-amine
SMILESCCCc1cc(N2CCC(N)CC2)nc(-c2cnccn2)n1
InChIInChI=1S/C16H22N6/c1-2-3-13-10-15(22-8-4-12(17)5-9-22)21-16(20-13)14-11-18-6-7-19-14/h6-7,10-12H,2-5,8-9,17H2,1H3
InChIKeyITILBARAIGCZRS-UHFFFAOYSA-N
XLogP1.81
TPSA80.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(6-propyl-2-pyrazin-2-ylpyrimidin-4-yl)piperidin-4-amine?
The IUPAC name of 1-(6-propyl-2-pyrazin-2-ylpyrimidin-4-yl)piperidin-4-amine (CID 56767139) is 1-(6-propyl-2-pyrazin-2-ylpyrimidin-4-yl)piperidin-4-amine.
What is the SMILES notation for 1-(6-propyl-2-pyrazin-2-ylpyrimidin-4-yl)piperidin-4-amine?
The canonical SMILES for 1-(6-propyl-2-pyrazin-2-ylpyrimidin-4-yl)piperidin-4-amine is CCCc1cc(N2CCC(N)CC2)nc(-c2cnccn2)n1.
What is the InChIKey of 1-(6-propyl-2-pyrazin-2-ylpyrimidin-4-yl)piperidin-4-amine?
The InChIKey is ITILBARAIGCZRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6/c1-2-3-13-10-15(22-8-4-12(17)5-9-22)21-16(20-13)14-11-18-6-7-19-14/h6-7,10-12H,2-5,8-9,17H2,1H3.
What are the key properties of 1-(6-propyl-2-pyrazin-2-ylpyrimidin-4-yl)piperidin-4-amine?
1-(6-propyl-2-pyrazin-2-ylpyrimidin-4-yl)piperidin-4-amine has a molecular weight of 298.39 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-propyl-2-pyrazin-2-ylpyrimidin-4-yl)piperidin-4-amine is sourced from PubChem (CID 56767139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).