2-(2-hydroxyethylamino)-6,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-7-one

C8H11N5O2 — CID 68579180

IUPAC2-(2-hydroxyethylamino)-6,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-7-one
SMILESO=C1NCc2cnc(NCCO)nc2N1
InChIInChI=1S/C8H11N5O2/c14-2-1-9-7-10-3-5-4-11-8(15)13-6(5)12-7/h3,14H,1-2,4H2,(H3,9,10,11,12,13,15)
InChIKeyMSXVXQWUPKVOJD-UHFFFAOYSA-N
MW209.21 g/mol
LogP-0.48
Rot. Bonds3

About 2-(2-hydroxyethylamino)-6,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-7-one

2-(2-hydroxyethylamino)-6,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-7-one (PubChem CID 68579180) has the molecular formula C8H11N5O2 and a molecular weight of 209.21 g/mol. Its IUPAC name is 2-(2-hydroxyethylamino)-6,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-7-one.

Molecular Properties

Compound Name2-(2-hydroxyethylamino)-6,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-7-one
PubChem CID68579180
Molecular FormulaC8H11N5O2
Molecular Weight209.21 g/mol
Exact Mass209.09
IUPAC Name2-(2-hydroxyethylamino)-6,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-7-one
SMILESO=C1NCc2cnc(NCCO)nc2N1
InChIInChI=1S/C8H11N5O2/c14-2-1-9-7-10-3-5-4-11-8(15)13-6(5)12-7/h3,14H,1-2,4H2,(H3,9,10,11,12,13,15)
InChIKeyMSXVXQWUPKVOJD-UHFFFAOYSA-N
XLogP-0.48
TPSA99.17 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.21
LogP ≤ 5-0.48
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyethylamino)-6,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-7-one?
The IUPAC name of 2-(2-hydroxyethylamino)-6,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-7-one (CID 68579180) is 2-(2-hydroxyethylamino)-6,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-7-one.
What is the SMILES notation for 2-(2-hydroxyethylamino)-6,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-7-one?
The canonical SMILES for 2-(2-hydroxyethylamino)-6,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-7-one is O=C1NCc2cnc(NCCO)nc2N1.
What is the InChIKey of 2-(2-hydroxyethylamino)-6,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-7-one?
The InChIKey is MSXVXQWUPKVOJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N5O2/c14-2-1-9-7-10-3-5-4-11-8(15)13-6(5)12-7/h3,14H,1-2,4H2,(H3,9,10,11,12,13,15).
What are the key properties of 2-(2-hydroxyethylamino)-6,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-7-one?
2-(2-hydroxyethylamino)-6,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-7-one has a molecular weight of 209.21 g/mol, XLogP of -0.48, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyethylamino)-6,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-7-one is sourced from PubChem (CID 68579180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).