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

C16H28N8O2 — CID 16757480

IUPAC2-[[2-(2-hydroxyethylamino)-4,8-bis(propan-2-ylamino)pyrimido[5,4-d]pyrimidin-6-yl]amino]ethanol
SMILESCC(C)Nc1nc(NCCO)nc2c(NC(C)C)nc(NCCO)nc12
InChIInChI=1S/C16H28N8O2/c1-9(2)19-13-11-12(22-15(23-13)17-5-7-25)14(20-10(3)4)24-16(21-11)18-6-8-26/h9-10,25-26H,5-8H2,1-4H3,(H2,17,19,22,23)(H2,18,20,21,24)
InChIKeyYBZQUQINEKFAII-UHFFFAOYSA-N
MW364.45 g/mol
LogP0.87
Rot. Bonds10

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

2-[[2-(2-hydroxyethylamino)-4,8-bis(propan-2-ylamino)pyrimido[5,4-d]pyrimidin-6-yl]amino]ethanol (PubChem CID 16757480) 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(propan-2-ylamino)pyrimido[5,4-d]pyrimidin-6-yl]amino]ethanol.

Molecular Properties

Compound Name2-[[2-(2-hydroxyethylamino)-4,8-bis(propan-2-ylamino)pyrimido[5,4-d]pyrimidin-6-yl]amino]ethanol
PubChem CID16757480
Molecular FormulaC16H28N8O2
Molecular Weight364.45 g/mol
Exact Mass364.23
IUPAC Name2-[[2-(2-hydroxyethylamino)-4,8-bis(propan-2-ylamino)pyrimido[5,4-d]pyrimidin-6-yl]amino]ethanol
SMILESCC(C)Nc1nc(NCCO)nc2c(NC(C)C)nc(NCCO)nc12
InChIInChI=1S/C16H28N8O2/c1-9(2)19-13-11-12(22-15(23-13)17-5-7-25)14(20-10(3)4)24-16(21-11)18-6-8-26/h9-10,25-26H,5-8H2,1-4H3,(H2,17,19,22,23)(H2,18,20,21,24)
InChIKeyYBZQUQINEKFAII-UHFFFAOYSA-N
XLogP0.87
TPSA140.14 Ų
H-Bond Donors6
H-Bond Acceptors10
Rotatable Bonds10
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(propan-2-ylamino)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(propan-2-ylamino)pyrimido[5,4-d]pyrimidin-6-yl]amino]ethanol?
The IUPAC name of 2-[[2-(2-hydroxyethylamino)-4,8-bis(propan-2-ylamino)pyrimido[5,4-d]pyrimidin-6-yl]amino]ethanol (CID 16757480) is 2-[[2-(2-hydroxyethylamino)-4,8-bis(propan-2-ylamino)pyrimido[5,4-d]pyrimidin-6-yl]amino]ethanol.
What is the SMILES notation for 2-[[2-(2-hydroxyethylamino)-4,8-bis(propan-2-ylamino)pyrimido[5,4-d]pyrimidin-6-yl]amino]ethanol?
The canonical SMILES for 2-[[2-(2-hydroxyethylamino)-4,8-bis(propan-2-ylamino)pyrimido[5,4-d]pyrimidin-6-yl]amino]ethanol is CC(C)Nc1nc(NCCO)nc2c(NC(C)C)nc(NCCO)nc12.
What is the InChIKey of 2-[[2-(2-hydroxyethylamino)-4,8-bis(propan-2-ylamino)pyrimido[5,4-d]pyrimidin-6-yl]amino]ethanol?
The InChIKey is YBZQUQINEKFAII-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N8O2/c1-9(2)19-13-11-12(22-15(23-13)17-5-7-25)14(20-10(3)4)24-16(21-11)18-6-8-26/h9-10,25-26H,5-8H2,1-4H3,(H2,17,19,22,23)(H2,18,20,21,24).
What are the key properties of 2-[[2-(2-hydroxyethylamino)-4,8-bis(propan-2-ylamino)pyrimido[5,4-d]pyrimidin-6-yl]amino]ethanol?
2-[[2-(2-hydroxyethylamino)-4,8-bis(propan-2-ylamino)pyrimido[5,4-d]pyrimidin-6-yl]amino]ethanol has a molecular weight of 364.45 g/mol, XLogP of 0.87, 10 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(propan-2-ylamino)pyrimido[5,4-d]pyrimidin-6-yl]amino]ethanol is sourced from PubChem (CID 16757480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).