8-[2-hydroxyethyl(methyl)amino]-6,7-dihydropyrimido[4,5-d]pyrimidin-5-one

C9H13N5O2 — CID 68578878

IUPAC8-[2-hydroxyethyl(methyl)amino]-6,7-dihydropyrimido[4,5-d]pyrimidin-5-one
SMILESCN(CCO)N1CNC(=O)c2cncnc21
InChIInChI=1S/C9H13N5O2/c1-13(2-3-15)14-6-12-9(16)7-4-10-5-11-8(7)14/h4-5,15H,2-3,6H2,1H3,(H,12,16)
InChIKeyKPVHAKJHDOFLOW-UHFFFAOYSA-N
MW223.24 g/mol
LogP-1.18
Rot. Bonds3

About 8-[2-hydroxyethyl(methyl)amino]-6,7-dihydropyrimido[4,5-d]pyrimidin-5-one

8-[2-hydroxyethyl(methyl)amino]-6,7-dihydropyrimido[4,5-d]pyrimidin-5-one (PubChem CID 68578878) has the molecular formula C9H13N5O2 and a molecular weight of 223.24 g/mol. Its IUPAC name is 8-[2-hydroxyethyl(methyl)amino]-6,7-dihydropyrimido[4,5-d]pyrimidin-5-one.

Molecular Properties

Compound Name8-[2-hydroxyethyl(methyl)amino]-6,7-dihydropyrimido[4,5-d]pyrimidin-5-one
PubChem CID68578878
Molecular FormulaC9H13N5O2
Molecular Weight223.24 g/mol
Exact Mass223.11
IUPAC Name8-[2-hydroxyethyl(methyl)amino]-6,7-dihydropyrimido[4,5-d]pyrimidin-5-one
SMILESCN(CCO)N1CNC(=O)c2cncnc21
InChIInChI=1S/C9H13N5O2/c1-13(2-3-15)14-6-12-9(16)7-4-10-5-11-8(7)14/h4-5,15H,2-3,6H2,1H3,(H,12,16)
InChIKeyKPVHAKJHDOFLOW-UHFFFAOYSA-N
XLogP-1.18
TPSA81.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.24
LogP ≤ 5-1.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-[2-hydroxyethyl(methyl)amino]-6,7-dihydropyrimido[4,5-d]pyrimidin-5-one?
The IUPAC name of 8-[2-hydroxyethyl(methyl)amino]-6,7-dihydropyrimido[4,5-d]pyrimidin-5-one (CID 68578878) is 8-[2-hydroxyethyl(methyl)amino]-6,7-dihydropyrimido[4,5-d]pyrimidin-5-one.
What is the SMILES notation for 8-[2-hydroxyethyl(methyl)amino]-6,7-dihydropyrimido[4,5-d]pyrimidin-5-one?
The canonical SMILES for 8-[2-hydroxyethyl(methyl)amino]-6,7-dihydropyrimido[4,5-d]pyrimidin-5-one is CN(CCO)N1CNC(=O)c2cncnc21.
What is the InChIKey of 8-[2-hydroxyethyl(methyl)amino]-6,7-dihydropyrimido[4,5-d]pyrimidin-5-one?
The InChIKey is KPVHAKJHDOFLOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5O2/c1-13(2-3-15)14-6-12-9(16)7-4-10-5-11-8(7)14/h4-5,15H,2-3,6H2,1H3,(H,12,16).
What are the key properties of 8-[2-hydroxyethyl(methyl)amino]-6,7-dihydropyrimido[4,5-d]pyrimidin-5-one?
8-[2-hydroxyethyl(methyl)amino]-6,7-dihydropyrimido[4,5-d]pyrimidin-5-one has a molecular weight of 223.24 g/mol, XLogP of -1.18, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-hydroxyethyl(methyl)amino]-6,7-dihydropyrimido[4,5-d]pyrimidin-5-one is sourced from PubChem (CID 68578878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).