2-[[4,8-bis(ethylamino)-2-(2-hydroxyethylamino)pyrimido[5,4-d]pyrimidin-6-yl]amino]ethanol

C14H24N8O2 — CID 16757374

IUPAC2-[[4,8-bis(ethylamino)-2-(2-hydroxyethylamino)pyrimido[5,4-d]pyrimidin-6-yl]amino]ethanol
SMILESCCNc1nc(NCCO)nc2c(NCC)nc(NCCO)nc12
InChIInChI=1S/C14H24N8O2/c1-3-15-11-9-10(20-13(21-11)17-5-7-23)12(16-4-2)22-14(19-9)18-6-8-24/h23-24H,3-8H2,1-2H3,(H2,15,17,20,21)(H2,16,18,19,22)
InChIKeyHHQPPZUAVNICOS-UHFFFAOYSA-N
MW336.40 g/mol
LogP0.09
Rot. Bonds10

About 2-[[4,8-bis(ethylamino)-2-(2-hydroxyethylamino)pyrimido[5,4-d]pyrimidin-6-yl]amino]ethanol

2-[[4,8-bis(ethylamino)-2-(2-hydroxyethylamino)pyrimido[5,4-d]pyrimidin-6-yl]amino]ethanol (PubChem CID 16757374) has the molecular formula C14H24N8O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is 2-[[4,8-bis(ethylamino)-2-(2-hydroxyethylamino)pyrimido[5,4-d]pyrimidin-6-yl]amino]ethanol.

Molecular Properties

Compound Name2-[[4,8-bis(ethylamino)-2-(2-hydroxyethylamino)pyrimido[5,4-d]pyrimidin-6-yl]amino]ethanol
PubChem CID16757374
Molecular FormulaC14H24N8O2
Molecular Weight336.40 g/mol
Exact Mass336.20
IUPAC Name2-[[4,8-bis(ethylamino)-2-(2-hydroxyethylamino)pyrimido[5,4-d]pyrimidin-6-yl]amino]ethanol
SMILESCCNc1nc(NCCO)nc2c(NCC)nc(NCCO)nc12
InChIInChI=1S/C14H24N8O2/c1-3-15-11-9-10(20-13(21-11)17-5-7-23)12(16-4-2)22-14(19-9)18-6-8-24/h23-24H,3-8H2,1-2H3,(H2,15,17,20,21)(H2,16,18,19,22)
InChIKeyHHQPPZUAVNICOS-UHFFFAOYSA-N
XLogP0.09
TPSA140.14 Ų
H-Bond Donors6
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.40
LogP ≤ 50.09
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 2-[[4,8-bis(ethylamino)-2-(2-hydroxyethylamino)pyrimido[5,4-d]pyrimidin-6-yl]amino]ethanol?
The IUPAC name of 2-[[4,8-bis(ethylamino)-2-(2-hydroxyethylamino)pyrimido[5,4-d]pyrimidin-6-yl]amino]ethanol (CID 16757374) is 2-[[4,8-bis(ethylamino)-2-(2-hydroxyethylamino)pyrimido[5,4-d]pyrimidin-6-yl]amino]ethanol.
What is the SMILES notation for 2-[[4,8-bis(ethylamino)-2-(2-hydroxyethylamino)pyrimido[5,4-d]pyrimidin-6-yl]amino]ethanol?
The canonical SMILES for 2-[[4,8-bis(ethylamino)-2-(2-hydroxyethylamino)pyrimido[5,4-d]pyrimidin-6-yl]amino]ethanol is CCNc1nc(NCCO)nc2c(NCC)nc(NCCO)nc12.
What is the InChIKey of 2-[[4,8-bis(ethylamino)-2-(2-hydroxyethylamino)pyrimido[5,4-d]pyrimidin-6-yl]amino]ethanol?
The InChIKey is HHQPPZUAVNICOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N8O2/c1-3-15-11-9-10(20-13(21-11)17-5-7-23)12(16-4-2)22-14(19-9)18-6-8-24/h23-24H,3-8H2,1-2H3,(H2,15,17,20,21)(H2,16,18,19,22).
What are the key properties of 2-[[4,8-bis(ethylamino)-2-(2-hydroxyethylamino)pyrimido[5,4-d]pyrimidin-6-yl]amino]ethanol?
2-[[4,8-bis(ethylamino)-2-(2-hydroxyethylamino)pyrimido[5,4-d]pyrimidin-6-yl]amino]ethanol has a molecular weight of 336.40 g/mol, XLogP of 0.09, 10 rotatable bonds, 6 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4,8-bis(ethylamino)-2-(2-hydroxyethylamino)pyrimido[5,4-d]pyrimidin-6-yl]amino]ethanol is sourced from PubChem (CID 16757374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).