2-pyrrolidin-1-ylpyrimido[4,5-d]pyrimidin-5-amine

C10H12N6 — CID 2816958

IUPAC2-pyrrolidin-1-ylpyrimido[4,5-d]pyrimidin-5-amine
SMILESNc1ncnc2nc(N3CCCC3)ncc12
InChIInChI=1S/C10H12N6/c11-8-7-5-12-10(16-3-1-2-4-16)15-9(7)14-6-13-8/h5-6H,1-4H2,(H2,11,12,13,14,15)
InChIKeyLLENOGXZCZHFBJ-UHFFFAOYSA-N
MW216.25 g/mol
LogP0.60
Rot. Bonds1

About 2-pyrrolidin-1-ylpyrimido[4,5-d]pyrimidin-5-amine

2-pyrrolidin-1-ylpyrimido[4,5-d]pyrimidin-5-amine (PubChem CID 2816958) has the molecular formula C10H12N6 and a molecular weight of 216.25 g/mol. Its IUPAC name is 2-pyrrolidin-1-ylpyrimido[4,5-d]pyrimidin-5-amine.

Molecular Properties

Compound Name2-pyrrolidin-1-ylpyrimido[4,5-d]pyrimidin-5-amine
PubChem CID2816958
Molecular FormulaC10H12N6
Molecular Weight216.25 g/mol
Exact Mass216.11
IUPAC Name2-pyrrolidin-1-ylpyrimido[4,5-d]pyrimidin-5-amine
SMILESNc1ncnc2nc(N3CCCC3)ncc12
InChIInChI=1S/C10H12N6/c11-8-7-5-12-10(16-3-1-2-4-16)15-9(7)14-6-13-8/h5-6H,1-4H2,(H2,11,12,13,14,15)
InChIKeyLLENOGXZCZHFBJ-UHFFFAOYSA-N
XLogP0.60
TPSA80.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.25
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-pyrrolidin-1-ylpyrimido[4,5-d]pyrimidin-5-amine?
The IUPAC name of 2-pyrrolidin-1-ylpyrimido[4,5-d]pyrimidin-5-amine (CID 2816958) is 2-pyrrolidin-1-ylpyrimido[4,5-d]pyrimidin-5-amine.
What is the SMILES notation for 2-pyrrolidin-1-ylpyrimido[4,5-d]pyrimidin-5-amine?
The canonical SMILES for 2-pyrrolidin-1-ylpyrimido[4,5-d]pyrimidin-5-amine is Nc1ncnc2nc(N3CCCC3)ncc12.
What is the InChIKey of 2-pyrrolidin-1-ylpyrimido[4,5-d]pyrimidin-5-amine?
The InChIKey is LLENOGXZCZHFBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N6/c11-8-7-5-12-10(16-3-1-2-4-16)15-9(7)14-6-13-8/h5-6H,1-4H2,(H2,11,12,13,14,15).
What are the key properties of 2-pyrrolidin-1-ylpyrimido[4,5-d]pyrimidin-5-amine?
2-pyrrolidin-1-ylpyrimido[4,5-d]pyrimidin-5-amine has a molecular weight of 216.25 g/mol, XLogP of 0.60, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrrolidin-1-ylpyrimido[4,5-d]pyrimidin-5-amine is sourced from PubChem (CID 2816958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).