6-[(2S)-2-pyrazin-2-ylpyrrolidin-1-yl]pyrimidin-4-amine

C12H14N6 — CID 95817650

IUPAC6-[(2S)-2-pyrazin-2-ylpyrrolidin-1-yl]pyrimidin-4-amine
SMILESNc1cc(N2CCC[C@H]2c2cnccn2)ncn1
InChIInChI=1S/C12H14N6/c13-11-6-12(17-8-16-11)18-5-1-2-10(18)9-7-14-3-4-15-9/h3-4,6-8,10H,1-2,5H2,(H2,13,16,17)/t10-/m0/s1
InChIKeyHBDRSCDNYUOKNY-JTQLQIEISA-N
MW242.29 g/mol
LogP1.19
Rot. Bonds2

About 6-[(2S)-2-pyrazin-2-ylpyrrolidin-1-yl]pyrimidin-4-amine

6-[(2S)-2-pyrazin-2-ylpyrrolidin-1-yl]pyrimidin-4-amine (PubChem CID 95817650) has the molecular formula C12H14N6 and a molecular weight of 242.29 g/mol. Its IUPAC name is 6-[(2S)-2-pyrazin-2-ylpyrrolidin-1-yl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-[(2S)-2-pyrazin-2-ylpyrrolidin-1-yl]pyrimidin-4-amine
PubChem CID95817650
Molecular FormulaC12H14N6
Molecular Weight242.29 g/mol
Exact Mass242.13
IUPAC Name6-[(2S)-2-pyrazin-2-ylpyrrolidin-1-yl]pyrimidin-4-amine
SMILESNc1cc(N2CCC[C@H]2c2cnccn2)ncn1
InChIInChI=1S/C12H14N6/c13-11-6-12(17-8-16-11)18-5-1-2-10(18)9-7-14-3-4-15-9/h3-4,6-8,10H,1-2,5H2,(H2,13,16,17)/t10-/m0/s1
InChIKeyHBDRSCDNYUOKNY-JTQLQIEISA-N
XLogP1.19
TPSA80.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.29
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[(2S)-2-pyrazin-2-ylpyrrolidin-1-yl]pyrimidin-4-amine?
The IUPAC name of 6-[(2S)-2-pyrazin-2-ylpyrrolidin-1-yl]pyrimidin-4-amine (CID 95817650) is 6-[(2S)-2-pyrazin-2-ylpyrrolidin-1-yl]pyrimidin-4-amine.
What is the SMILES notation for 6-[(2S)-2-pyrazin-2-ylpyrrolidin-1-yl]pyrimidin-4-amine?
The canonical SMILES for 6-[(2S)-2-pyrazin-2-ylpyrrolidin-1-yl]pyrimidin-4-amine is Nc1cc(N2CCC[C@H]2c2cnccn2)ncn1.
What is the InChIKey of 6-[(2S)-2-pyrazin-2-ylpyrrolidin-1-yl]pyrimidin-4-amine?
The InChIKey is HBDRSCDNYUOKNY-JTQLQIEISA-N. The full InChI is InChI=1S/C12H14N6/c13-11-6-12(17-8-16-11)18-5-1-2-10(18)9-7-14-3-4-15-9/h3-4,6-8,10H,1-2,5H2,(H2,13,16,17)/t10-/m0/s1.
What are the key properties of 6-[(2S)-2-pyrazin-2-ylpyrrolidin-1-yl]pyrimidin-4-amine?
6-[(2S)-2-pyrazin-2-ylpyrrolidin-1-yl]pyrimidin-4-amine has a molecular weight of 242.29 g/mol, XLogP of 1.19, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2S)-2-pyrazin-2-ylpyrrolidin-1-yl]pyrimidin-4-amine is sourced from PubChem (CID 95817650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).