2-piperazin-1-ylpyrimido[4,5-d]pyrimidine-5,7-diamine

C10H14N8 — CID 134987147

IUPAC2-piperazin-1-ylpyrimido[4,5-d]pyrimidine-5,7-diamine
SMILESNc1nc(N)c2cnc(N3CCNCC3)nc2n1
InChIInChI=1S/C10H14N8/c11-7-6-5-14-10(18-3-1-13-2-4-18)17-8(6)16-9(12)15-7/h5,13H,1-4H2,(H4,11,12,14,15,16,17)
InChIKeyKTEGMGXQXWIXHW-UHFFFAOYSA-N
MW246.28 g/mol
LogP-1.01
Rot. Bonds1

About 2-piperazin-1-ylpyrimido[4,5-d]pyrimidine-5,7-diamine

2-piperazin-1-ylpyrimido[4,5-d]pyrimidine-5,7-diamine (PubChem CID 134987147) has the molecular formula C10H14N8 and a molecular weight of 246.28 g/mol. Its IUPAC name is 2-piperazin-1-ylpyrimido[4,5-d]pyrimidine-5,7-diamine.

Molecular Properties

Compound Name2-piperazin-1-ylpyrimido[4,5-d]pyrimidine-5,7-diamine
PubChem CID134987147
Molecular FormulaC10H14N8
Molecular Weight246.28 g/mol
Exact Mass246.13
IUPAC Name2-piperazin-1-ylpyrimido[4,5-d]pyrimidine-5,7-diamine
SMILESNc1nc(N)c2cnc(N3CCNCC3)nc2n1
InChIInChI=1S/C10H14N8/c11-7-6-5-14-10(18-3-1-13-2-4-18)17-8(6)16-9(12)15-7/h5,13H,1-4H2,(H4,11,12,14,15,16,17)
InChIKeyKTEGMGXQXWIXHW-UHFFFAOYSA-N
XLogP-1.01
TPSA118.87 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.28
LogP ≤ 5-1.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-piperazin-1-ylpyrimido[4,5-d]pyrimidine-5,7-diamine?
The IUPAC name of 2-piperazin-1-ylpyrimido[4,5-d]pyrimidine-5,7-diamine (CID 134987147) is 2-piperazin-1-ylpyrimido[4,5-d]pyrimidine-5,7-diamine.
What is the SMILES notation for 2-piperazin-1-ylpyrimido[4,5-d]pyrimidine-5,7-diamine?
The canonical SMILES for 2-piperazin-1-ylpyrimido[4,5-d]pyrimidine-5,7-diamine is Nc1nc(N)c2cnc(N3CCNCC3)nc2n1.
What is the InChIKey of 2-piperazin-1-ylpyrimido[4,5-d]pyrimidine-5,7-diamine?
The InChIKey is KTEGMGXQXWIXHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N8/c11-7-6-5-14-10(18-3-1-13-2-4-18)17-8(6)16-9(12)15-7/h5,13H,1-4H2,(H4,11,12,14,15,16,17).
What are the key properties of 2-piperazin-1-ylpyrimido[4,5-d]pyrimidine-5,7-diamine?
2-piperazin-1-ylpyrimido[4,5-d]pyrimidine-5,7-diamine has a molecular weight of 246.28 g/mol, XLogP of -1.01, 1 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperazin-1-ylpyrimido[4,5-d]pyrimidine-5,7-diamine is sourced from PubChem (CID 134987147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).