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

C14H24N8O2 — CID 16756533

IUPAC2-[[4,8-bis(dimethylamino)-2-(2-hydroxyethylamino)pyrimido[5,4-d]pyrimidin-6-yl]amino]ethanol
SMILESCN(C)c1nc(NCCO)nc2c(N(C)C)nc(NCCO)nc12
InChIInChI=1S/C14H24N8O2/c1-21(2)11-9-10(18-13(19-11)15-5-7-23)12(22(3)4)20-14(17-9)16-6-8-24/h23-24H,5-8H2,1-4H3,(H,15,18,19)(H,16,17,20)
InChIKeyAHHNVJMPRGGQDU-UHFFFAOYSA-N
MW336.40 g/mol
LogP-0.64
Rot. Bonds8

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

2-[[4,8-bis(dimethylamino)-2-(2-hydroxyethylamino)pyrimido[5,4-d]pyrimidin-6-yl]amino]ethanol (PubChem CID 16756533) has the molecular formula C14H24N8O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is 2-[[4,8-bis(dimethylamino)-2-(2-hydroxyethylamino)pyrimido[5,4-d]pyrimidin-6-yl]amino]ethanol.

Molecular Properties

Compound Name2-[[4,8-bis(dimethylamino)-2-(2-hydroxyethylamino)pyrimido[5,4-d]pyrimidin-6-yl]amino]ethanol
PubChem CID16756533
Molecular FormulaC14H24N8O2
Molecular Weight336.40 g/mol
Exact Mass336.20
IUPAC Name2-[[4,8-bis(dimethylamino)-2-(2-hydroxyethylamino)pyrimido[5,4-d]pyrimidin-6-yl]amino]ethanol
SMILESCN(C)c1nc(NCCO)nc2c(N(C)C)nc(NCCO)nc12
InChIInChI=1S/C14H24N8O2/c1-21(2)11-9-10(18-13(19-11)15-5-7-23)12(22(3)4)20-14(17-9)16-6-8-24/h23-24H,5-8H2,1-4H3,(H,15,18,19)(H,16,17,20)
InChIKeyAHHNVJMPRGGQDU-UHFFFAOYSA-N
XLogP-0.64
TPSA122.56 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 5-0.64
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 2-[[4,8-bis(dimethylamino)-2-(2-hydroxyethylamino)pyrimido[5,4-d]pyrimidin-6-yl]amino]ethanol?
The IUPAC name of 2-[[4,8-bis(dimethylamino)-2-(2-hydroxyethylamino)pyrimido[5,4-d]pyrimidin-6-yl]amino]ethanol (CID 16756533) is 2-[[4,8-bis(dimethylamino)-2-(2-hydroxyethylamino)pyrimido[5,4-d]pyrimidin-6-yl]amino]ethanol.
What is the SMILES notation for 2-[[4,8-bis(dimethylamino)-2-(2-hydroxyethylamino)pyrimido[5,4-d]pyrimidin-6-yl]amino]ethanol?
The canonical SMILES for 2-[[4,8-bis(dimethylamino)-2-(2-hydroxyethylamino)pyrimido[5,4-d]pyrimidin-6-yl]amino]ethanol is CN(C)c1nc(NCCO)nc2c(N(C)C)nc(NCCO)nc12.
What is the InChIKey of 2-[[4,8-bis(dimethylamino)-2-(2-hydroxyethylamino)pyrimido[5,4-d]pyrimidin-6-yl]amino]ethanol?
The InChIKey is AHHNVJMPRGGQDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N8O2/c1-21(2)11-9-10(18-13(19-11)15-5-7-23)12(22(3)4)20-14(17-9)16-6-8-24/h23-24H,5-8H2,1-4H3,(H,15,18,19)(H,16,17,20).
What are the key properties of 2-[[4,8-bis(dimethylamino)-2-(2-hydroxyethylamino)pyrimido[5,4-d]pyrimidin-6-yl]amino]ethanol?
2-[[4,8-bis(dimethylamino)-2-(2-hydroxyethylamino)pyrimido[5,4-d]pyrimidin-6-yl]amino]ethanol has a molecular weight of 336.40 g/mol, XLogP of -0.64, 8 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4,8-bis(dimethylamino)-2-(2-hydroxyethylamino)pyrimido[5,4-d]pyrimidin-6-yl]amino]ethanol is sourced from PubChem (CID 16756533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).