1-[2-hydroxyethyl(methyl)amino]-3,4-dihydropyrimido[4,5-d]pyrimidin-2-one

C9H13N5O2 — CID 68578876

IUPAC1-[2-hydroxyethyl(methyl)amino]-3,4-dihydropyrimido[4,5-d]pyrimidin-2-one
SMILESCN(CCO)N1C(=O)NCc2cncnc21
InChIInChI=1S/C9H13N5O2/c1-13(2-3-15)14-8-7(4-10-6-12-8)5-11-9(14)16/h4,6,15H,2-3,5H2,1H3,(H,11,16)
InChIKeyOEXLJBWMPDZBHZ-UHFFFAOYSA-N
MW223.24 g/mol
LogP-0.65
Rot. Bonds3

About 1-[2-hydroxyethyl(methyl)amino]-3,4-dihydropyrimido[4,5-d]pyrimidin-2-one

1-[2-hydroxyethyl(methyl)amino]-3,4-dihydropyrimido[4,5-d]pyrimidin-2-one (PubChem CID 68578876) has the molecular formula C9H13N5O2 and a molecular weight of 223.24 g/mol. Its IUPAC name is 1-[2-hydroxyethyl(methyl)amino]-3,4-dihydropyrimido[4,5-d]pyrimidin-2-one.

Molecular Properties

Compound Name1-[2-hydroxyethyl(methyl)amino]-3,4-dihydropyrimido[4,5-d]pyrimidin-2-one
PubChem CID68578876
Molecular FormulaC9H13N5O2
Molecular Weight223.24 g/mol
Exact Mass223.11
IUPAC Name1-[2-hydroxyethyl(methyl)amino]-3,4-dihydropyrimido[4,5-d]pyrimidin-2-one
SMILESCN(CCO)N1C(=O)NCc2cncnc21
InChIInChI=1S/C9H13N5O2/c1-13(2-3-15)14-8-7(4-10-6-12-8)5-11-9(14)16/h4,6,15H,2-3,5H2,1H3,(H,11,16)
InChIKeyOEXLJBWMPDZBHZ-UHFFFAOYSA-N
XLogP-0.65
TPSA81.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.24
LogP ≤ 5-0.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-hydroxyethyl(methyl)amino]-3,4-dihydropyrimido[4,5-d]pyrimidin-2-one?
The IUPAC name of 1-[2-hydroxyethyl(methyl)amino]-3,4-dihydropyrimido[4,5-d]pyrimidin-2-one (CID 68578876) is 1-[2-hydroxyethyl(methyl)amino]-3,4-dihydropyrimido[4,5-d]pyrimidin-2-one.
What is the SMILES notation for 1-[2-hydroxyethyl(methyl)amino]-3,4-dihydropyrimido[4,5-d]pyrimidin-2-one?
The canonical SMILES for 1-[2-hydroxyethyl(methyl)amino]-3,4-dihydropyrimido[4,5-d]pyrimidin-2-one is CN(CCO)N1C(=O)NCc2cncnc21.
What is the InChIKey of 1-[2-hydroxyethyl(methyl)amino]-3,4-dihydropyrimido[4,5-d]pyrimidin-2-one?
The InChIKey is OEXLJBWMPDZBHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5O2/c1-13(2-3-15)14-8-7(4-10-6-12-8)5-11-9(14)16/h4,6,15H,2-3,5H2,1H3,(H,11,16).
What are the key properties of 1-[2-hydroxyethyl(methyl)amino]-3,4-dihydropyrimido[4,5-d]pyrimidin-2-one?
1-[2-hydroxyethyl(methyl)amino]-3,4-dihydropyrimido[4,5-d]pyrimidin-2-one has a molecular weight of 223.24 g/mol, XLogP of -0.65, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-hydroxyethyl(methyl)amino]-3,4-dihydropyrimido[4,5-d]pyrimidin-2-one is sourced from PubChem (CID 68578876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).