4-[(3R)-1-pyrazin-2-ylpyrrolidin-3-yl]-N-pyrimidin-5-ylpyrimidin-2-amine

C16H16N8 — CID 124946806

IUPAC4-[(3R)-1-pyrazin-2-ylpyrrolidin-3-yl]-N-pyrimidin-5-ylpyrimidin-2-amine
SMILESc1cnc(N2CC[C@@H](c3ccnc(Nc4cncnc4)n3)C2)cn1
InChIInChI=1S/C16H16N8/c1-3-21-16(22-13-7-18-11-19-8-13)23-14(1)12-2-6-24(10-12)15-9-17-4-5-20-15/h1,3-5,7-9,11-12H,2,6,10H2,(H,21,22,23)/t12-/m1/s1
InChIKeyCAZXUCFQQPQPJA-GFCCVEGCSA-N
MW320.36 g/mol
LogP1.79
Rot. Bonds4

About 4-[(3R)-1-pyrazin-2-ylpyrrolidin-3-yl]-N-pyrimidin-5-ylpyrimidin-2-amine

4-[(3R)-1-pyrazin-2-ylpyrrolidin-3-yl]-N-pyrimidin-5-ylpyrimidin-2-amine (PubChem CID 124946806) has the molecular formula C16H16N8 and a molecular weight of 320.36 g/mol. Its IUPAC name is 4-[(3R)-1-pyrazin-2-ylpyrrolidin-3-yl]-N-pyrimidin-5-ylpyrimidin-2-amine.

Molecular Properties

Compound Name4-[(3R)-1-pyrazin-2-ylpyrrolidin-3-yl]-N-pyrimidin-5-ylpyrimidin-2-amine
PubChem CID124946806
Molecular FormulaC16H16N8
Molecular Weight320.36 g/mol
Exact Mass320.15
IUPAC Name4-[(3R)-1-pyrazin-2-ylpyrrolidin-3-yl]-N-pyrimidin-5-ylpyrimidin-2-amine
SMILESc1cnc(N2CC[C@@H](c3ccnc(Nc4cncnc4)n3)C2)cn1
InChIInChI=1S/C16H16N8/c1-3-21-16(22-13-7-18-11-19-8-13)23-14(1)12-2-6-24(10-12)15-9-17-4-5-20-15/h1,3-5,7-9,11-12H,2,6,10H2,(H,21,22,23)/t12-/m1/s1
InChIKeyCAZXUCFQQPQPJA-GFCCVEGCSA-N
XLogP1.79
TPSA92.61 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.36
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[(3R)-1-pyrazin-2-ylpyrrolidin-3-yl]-N-pyrimidin-5-ylpyrimidin-2-amine?
The IUPAC name of 4-[(3R)-1-pyrazin-2-ylpyrrolidin-3-yl]-N-pyrimidin-5-ylpyrimidin-2-amine (CID 124946806) is 4-[(3R)-1-pyrazin-2-ylpyrrolidin-3-yl]-N-pyrimidin-5-ylpyrimidin-2-amine.
What is the SMILES notation for 4-[(3R)-1-pyrazin-2-ylpyrrolidin-3-yl]-N-pyrimidin-5-ylpyrimidin-2-amine?
The canonical SMILES for 4-[(3R)-1-pyrazin-2-ylpyrrolidin-3-yl]-N-pyrimidin-5-ylpyrimidin-2-amine is c1cnc(N2CC[C@@H](c3ccnc(Nc4cncnc4)n3)C2)cn1.
What is the InChIKey of 4-[(3R)-1-pyrazin-2-ylpyrrolidin-3-yl]-N-pyrimidin-5-ylpyrimidin-2-amine?
The InChIKey is CAZXUCFQQPQPJA-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H16N8/c1-3-21-16(22-13-7-18-11-19-8-13)23-14(1)12-2-6-24(10-12)15-9-17-4-5-20-15/h1,3-5,7-9,11-12H,2,6,10H2,(H,21,22,23)/t12-/m1/s1.
What are the key properties of 4-[(3R)-1-pyrazin-2-ylpyrrolidin-3-yl]-N-pyrimidin-5-ylpyrimidin-2-amine?
4-[(3R)-1-pyrazin-2-ylpyrrolidin-3-yl]-N-pyrimidin-5-ylpyrimidin-2-amine has a molecular weight of 320.36 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3R)-1-pyrazin-2-ylpyrrolidin-3-yl]-N-pyrimidin-5-ylpyrimidin-2-amine is sourced from PubChem (CID 124946806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).