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

C16H28N8O2 — CID 16757478

IUPAC2-[[2-(2-hydroxyethylamino)-4,8-bis(propylamino)pyrimido[5,4-d]pyrimidin-6-yl]amino]ethanol
SMILESCCCNc1nc(NCCO)nc2c(NCCC)nc(NCCO)nc12
InChIInChI=1S/C16H28N8O2/c1-3-5-17-13-11-12(22-15(23-13)19-7-9-25)14(18-6-4-2)24-16(21-11)20-8-10-26/h25-26H,3-10H2,1-2H3,(H2,17,19,22,23)(H2,18,20,21,24)
InChIKeyCERSZJHWOHRKOF-UHFFFAOYSA-N
MW364.45 g/mol
LogP0.87
Rot. Bonds12

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

2-[[2-(2-hydroxyethylamino)-4,8-bis(propylamino)pyrimido[5,4-d]pyrimidin-6-yl]amino]ethanol (PubChem CID 16757478) has the molecular formula C16H28N8O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is 2-[[2-(2-hydroxyethylamino)-4,8-bis(propylamino)pyrimido[5,4-d]pyrimidin-6-yl]amino]ethanol.

Molecular Properties

Compound Name2-[[2-(2-hydroxyethylamino)-4,8-bis(propylamino)pyrimido[5,4-d]pyrimidin-6-yl]amino]ethanol
PubChem CID16757478
Molecular FormulaC16H28N8O2
Molecular Weight364.45 g/mol
Exact Mass364.23
IUPAC Name2-[[2-(2-hydroxyethylamino)-4,8-bis(propylamino)pyrimido[5,4-d]pyrimidin-6-yl]amino]ethanol
SMILESCCCNc1nc(NCCO)nc2c(NCCC)nc(NCCO)nc12
InChIInChI=1S/C16H28N8O2/c1-3-5-17-13-11-12(22-15(23-13)19-7-9-25)14(18-6-4-2)24-16(21-11)20-8-10-26/h25-26H,3-10H2,1-2H3,(H2,17,19,22,23)(H2,18,20,21,24)
InChIKeyCERSZJHWOHRKOF-UHFFFAOYSA-N
XLogP0.87
TPSA140.14 Ų
H-Bond Donors6
H-Bond Acceptors10
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.45
LogP ≤ 50.87
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1010

Analyze 2-[[2-(2-hydroxyethylamino)-4,8-bis(propylamino)pyrimido[5,4-d]pyrimidin-6-yl]amino]ethanol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-hydroxyethylamino)-4,8-bis(propylamino)pyrimido[5,4-d]pyrimidin-6-yl]amino]ethanol?
The IUPAC name of 2-[[2-(2-hydroxyethylamino)-4,8-bis(propylamino)pyrimido[5,4-d]pyrimidin-6-yl]amino]ethanol (CID 16757478) is 2-[[2-(2-hydroxyethylamino)-4,8-bis(propylamino)pyrimido[5,4-d]pyrimidin-6-yl]amino]ethanol.
What is the SMILES notation for 2-[[2-(2-hydroxyethylamino)-4,8-bis(propylamino)pyrimido[5,4-d]pyrimidin-6-yl]amino]ethanol?
The canonical SMILES for 2-[[2-(2-hydroxyethylamino)-4,8-bis(propylamino)pyrimido[5,4-d]pyrimidin-6-yl]amino]ethanol is CCCNc1nc(NCCO)nc2c(NCCC)nc(NCCO)nc12.
What is the InChIKey of 2-[[2-(2-hydroxyethylamino)-4,8-bis(propylamino)pyrimido[5,4-d]pyrimidin-6-yl]amino]ethanol?
The InChIKey is CERSZJHWOHRKOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N8O2/c1-3-5-17-13-11-12(22-15(23-13)19-7-9-25)14(18-6-4-2)24-16(21-11)20-8-10-26/h25-26H,3-10H2,1-2H3,(H2,17,19,22,23)(H2,18,20,21,24).
What are the key properties of 2-[[2-(2-hydroxyethylamino)-4,8-bis(propylamino)pyrimido[5,4-d]pyrimidin-6-yl]amino]ethanol?
2-[[2-(2-hydroxyethylamino)-4,8-bis(propylamino)pyrimido[5,4-d]pyrimidin-6-yl]amino]ethanol has a molecular weight of 364.45 g/mol, XLogP of 0.87, 12 rotatable bonds, 6 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-hydroxyethylamino)-4,8-bis(propylamino)pyrimido[5,4-d]pyrimidin-6-yl]amino]ethanol is sourced from PubChem (CID 16757478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).