3-(1-propan-2-ylpiperidin-4-yl)-N-pyrimidin-2-ylpyrazin-2-amine

C16H22N6 — CID 95823671

IUPAC3-(1-propan-2-ylpiperidin-4-yl)-N-pyrimidin-2-ylpyrazin-2-amine
SMILESCC(C)N1CCC(c2nccnc2Nc2ncccn2)CC1
InChIInChI=1S/C16H22N6/c1-12(2)22-10-4-13(5-11-22)14-15(18-9-8-17-14)21-16-19-6-3-7-20-16/h3,6-9,12-13H,4-5,10-11H2,1-2H3,(H,18,19,20,21)
InChIKeyRLAZYLFLGKVWPV-UHFFFAOYSA-N
MW298.39 g/mol
LogP2.60
Rot. Bonds4

About 3-(1-propan-2-ylpiperidin-4-yl)-N-pyrimidin-2-ylpyrazin-2-amine

3-(1-propan-2-ylpiperidin-4-yl)-N-pyrimidin-2-ylpyrazin-2-amine (PubChem CID 95823671) has the molecular formula C16H22N6 and a molecular weight of 298.39 g/mol. Its IUPAC name is 3-(1-propan-2-ylpiperidin-4-yl)-N-pyrimidin-2-ylpyrazin-2-amine.

Molecular Properties

Compound Name3-(1-propan-2-ylpiperidin-4-yl)-N-pyrimidin-2-ylpyrazin-2-amine
PubChem CID95823671
Molecular FormulaC16H22N6
Molecular Weight298.39 g/mol
Exact Mass298.19
IUPAC Name3-(1-propan-2-ylpiperidin-4-yl)-N-pyrimidin-2-ylpyrazin-2-amine
SMILESCC(C)N1CCC(c2nccnc2Nc2ncccn2)CC1
InChIInChI=1S/C16H22N6/c1-12(2)22-10-4-13(5-11-22)14-15(18-9-8-17-14)21-16-19-6-3-7-20-16/h3,6-9,12-13H,4-5,10-11H2,1-2H3,(H,18,19,20,21)
InChIKeyRLAZYLFLGKVWPV-UHFFFAOYSA-N
XLogP2.60
TPSA66.83 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 ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(1-propan-2-ylpiperidin-4-yl)-N-pyrimidin-2-ylpyrazin-2-amine?
The IUPAC name of 3-(1-propan-2-ylpiperidin-4-yl)-N-pyrimidin-2-ylpyrazin-2-amine (CID 95823671) is 3-(1-propan-2-ylpiperidin-4-yl)-N-pyrimidin-2-ylpyrazin-2-amine.
What is the SMILES notation for 3-(1-propan-2-ylpiperidin-4-yl)-N-pyrimidin-2-ylpyrazin-2-amine?
The canonical SMILES for 3-(1-propan-2-ylpiperidin-4-yl)-N-pyrimidin-2-ylpyrazin-2-amine is CC(C)N1CCC(c2nccnc2Nc2ncccn2)CC1.
What is the InChIKey of 3-(1-propan-2-ylpiperidin-4-yl)-N-pyrimidin-2-ylpyrazin-2-amine?
The InChIKey is RLAZYLFLGKVWPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6/c1-12(2)22-10-4-13(5-11-22)14-15(18-9-8-17-14)21-16-19-6-3-7-20-16/h3,6-9,12-13H,4-5,10-11H2,1-2H3,(H,18,19,20,21).
What are the key properties of 3-(1-propan-2-ylpiperidin-4-yl)-N-pyrimidin-2-ylpyrazin-2-amine?
3-(1-propan-2-ylpiperidin-4-yl)-N-pyrimidin-2-ylpyrazin-2-amine has a molecular weight of 298.39 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-propan-2-ylpiperidin-4-yl)-N-pyrimidin-2-ylpyrazin-2-amine is sourced from PubChem (CID 95823671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).