2-N-(2-aminoethyl)pyrimido[4,5-d]pyrimidine-2,5,7-triamine

C8H12N8 — CID 59679334

IUPAC2-N-(2-aminoethyl)pyrimido[4,5-d]pyrimidine-2,5,7-triamine
SMILESNCCNc1ncc2c(N)nc(N)nc2n1
InChIInChI=1S/C8H12N8/c9-1-2-12-8-13-3-4-5(10)14-7(11)15-6(4)16-8/h3H,1-2,9H2,(H5,10,11,12,13,14,15,16)
InChIKeyURBTWXDXVSOVKE-UHFFFAOYSA-N
MW220.24 g/mol
LogP-1.05
Rot. Bonds3

About 2-N-(2-aminoethyl)pyrimido[4,5-d]pyrimidine-2,5,7-triamine

2-N-(2-aminoethyl)pyrimido[4,5-d]pyrimidine-2,5,7-triamine (PubChem CID 59679334) has the molecular formula C8H12N8 and a molecular weight of 220.24 g/mol. Its IUPAC name is 2-N-(2-aminoethyl)pyrimido[4,5-d]pyrimidine-2,5,7-triamine.

Molecular Properties

Compound Name2-N-(2-aminoethyl)pyrimido[4,5-d]pyrimidine-2,5,7-triamine
PubChem CID59679334
Molecular FormulaC8H12N8
Molecular Weight220.24 g/mol
Exact Mass220.12
IUPAC Name2-N-(2-aminoethyl)pyrimido[4,5-d]pyrimidine-2,5,7-triamine
SMILESNCCNc1ncc2c(N)nc(N)nc2n1
InChIInChI=1S/C8H12N8/c9-1-2-12-8-13-3-4-5(10)14-7(11)15-6(4)16-8/h3H,1-2,9H2,(H5,10,11,12,13,14,15,16)
InChIKeyURBTWXDXVSOVKE-UHFFFAOYSA-N
XLogP-1.05
TPSA141.65 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.24
LogP ≤ 5-1.05
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-N-(2-aminoethyl)pyrimido[4,5-d]pyrimidine-2,5,7-triamine?
The IUPAC name of 2-N-(2-aminoethyl)pyrimido[4,5-d]pyrimidine-2,5,7-triamine (CID 59679334) is 2-N-(2-aminoethyl)pyrimido[4,5-d]pyrimidine-2,5,7-triamine.
What is the SMILES notation for 2-N-(2-aminoethyl)pyrimido[4,5-d]pyrimidine-2,5,7-triamine?
The canonical SMILES for 2-N-(2-aminoethyl)pyrimido[4,5-d]pyrimidine-2,5,7-triamine is NCCNc1ncc2c(N)nc(N)nc2n1.
What is the InChIKey of 2-N-(2-aminoethyl)pyrimido[4,5-d]pyrimidine-2,5,7-triamine?
The InChIKey is URBTWXDXVSOVKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N8/c9-1-2-12-8-13-3-4-5(10)14-7(11)15-6(4)16-8/h3H,1-2,9H2,(H5,10,11,12,13,14,15,16).
What are the key properties of 2-N-(2-aminoethyl)pyrimido[4,5-d]pyrimidine-2,5,7-triamine?
2-N-(2-aminoethyl)pyrimido[4,5-d]pyrimidine-2,5,7-triamine has a molecular weight of 220.24 g/mol, XLogP of -1.05, 3 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-aminoethyl)pyrimido[4,5-d]pyrimidine-2,5,7-triamine is sourced from PubChem (CID 59679334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).