4-(1-pyrazin-2-ylpyrrolidin-3-yl)pyrimidin-2-amine

C12H14N6 — CID 110269263

IUPAC4-(1-pyrazin-2-ylpyrrolidin-3-yl)pyrimidin-2-amine
SMILESNc1nccc(C2CCN(c3cnccn3)C2)n1
InChIInChI=1S/C12H14N6/c13-12-16-3-1-10(17-12)9-2-6-18(8-9)11-7-14-4-5-15-11/h1,3-5,7,9H,2,6,8H2,(H2,13,16,17)
InChIKeyZBDHVPCGRPBFSM-UHFFFAOYSA-N
MW242.29 g/mol
LogP0.84
Rot. Bonds2

About 4-(1-pyrazin-2-ylpyrrolidin-3-yl)pyrimidin-2-amine

4-(1-pyrazin-2-ylpyrrolidin-3-yl)pyrimidin-2-amine (PubChem CID 110269263) has the molecular formula C12H14N6 and a molecular weight of 242.29 g/mol. Its IUPAC name is 4-(1-pyrazin-2-ylpyrrolidin-3-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(1-pyrazin-2-ylpyrrolidin-3-yl)pyrimidin-2-amine
PubChem CID110269263
Molecular FormulaC12H14N6
Molecular Weight242.29 g/mol
Exact Mass242.13
IUPAC Name4-(1-pyrazin-2-ylpyrrolidin-3-yl)pyrimidin-2-amine
SMILESNc1nccc(C2CCN(c3cnccn3)C2)n1
InChIInChI=1S/C12H14N6/c13-12-16-3-1-10(17-12)9-2-6-18(8-9)11-7-14-4-5-15-11/h1,3-5,7,9H,2,6,8H2,(H2,13,16,17)
InChIKeyZBDHVPCGRPBFSM-UHFFFAOYSA-N
XLogP0.84
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 ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(1-pyrazin-2-ylpyrrolidin-3-yl)pyrimidin-2-amine?
The IUPAC name of 4-(1-pyrazin-2-ylpyrrolidin-3-yl)pyrimidin-2-amine (CID 110269263) is 4-(1-pyrazin-2-ylpyrrolidin-3-yl)pyrimidin-2-amine.
What is the SMILES notation for 4-(1-pyrazin-2-ylpyrrolidin-3-yl)pyrimidin-2-amine?
The canonical SMILES for 4-(1-pyrazin-2-ylpyrrolidin-3-yl)pyrimidin-2-amine is Nc1nccc(C2CCN(c3cnccn3)C2)n1.
What is the InChIKey of 4-(1-pyrazin-2-ylpyrrolidin-3-yl)pyrimidin-2-amine?
The InChIKey is ZBDHVPCGRPBFSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N6/c13-12-16-3-1-10(17-12)9-2-6-18(8-9)11-7-14-4-5-15-11/h1,3-5,7,9H,2,6,8H2,(H2,13,16,17).
What are the key properties of 4-(1-pyrazin-2-ylpyrrolidin-3-yl)pyrimidin-2-amine?
4-(1-pyrazin-2-ylpyrrolidin-3-yl)pyrimidin-2-amine has a molecular weight of 242.29 g/mol, XLogP of 0.84, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-pyrazin-2-ylpyrrolidin-3-yl)pyrimidin-2-amine is sourced from PubChem (CID 110269263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).