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

C9H13N5O2 — CID 68578956

IUPAC2-[2-hydroxyethyl(methyl)amino]-7,8-dihydro-6H-pyrimido[4,5-d]pyrimidin-5-one
SMILESCN(CCO)c1ncc2c(n1)NCNC2=O
InChIInChI=1S/C9H13N5O2/c1-14(2-3-15)9-10-4-6-7(13-9)11-5-12-8(6)16/h4,15H,2-3,5H2,1H3,(H,12,16)(H,10,11,13)
InChIKeyMUUZBIZAZQJABD-UHFFFAOYSA-N
MW223.24 g/mol
LogP-0.98
Rot. Bonds3

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

2-[2-hydroxyethyl(methyl)amino]-7,8-dihydro-6H-pyrimido[4,5-d]pyrimidin-5-one (PubChem CID 68578956) has the molecular formula C9H13N5O2 and a molecular weight of 223.24 g/mol. Its IUPAC name is 2-[2-hydroxyethyl(methyl)amino]-7,8-dihydro-6H-pyrimido[4,5-d]pyrimidin-5-one.

Molecular Properties

Compound Name2-[2-hydroxyethyl(methyl)amino]-7,8-dihydro-6H-pyrimido[4,5-d]pyrimidin-5-one
PubChem CID68578956
Molecular FormulaC9H13N5O2
Molecular Weight223.24 g/mol
Exact Mass223.11
IUPAC Name2-[2-hydroxyethyl(methyl)amino]-7,8-dihydro-6H-pyrimido[4,5-d]pyrimidin-5-one
SMILESCN(CCO)c1ncc2c(n1)NCNC2=O
InChIInChI=1S/C9H13N5O2/c1-14(2-3-15)9-10-4-6-7(13-9)11-5-12-8(6)16/h4,15H,2-3,5H2,1H3,(H,12,16)(H,10,11,13)
InChIKeyMUUZBIZAZQJABD-UHFFFAOYSA-N
XLogP-0.98
TPSA90.38 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.24
LogP ≤ 5-0.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-hydroxyethyl(methyl)amino]-7,8-dihydro-6H-pyrimido[4,5-d]pyrimidin-5-one?
The IUPAC name of 2-[2-hydroxyethyl(methyl)amino]-7,8-dihydro-6H-pyrimido[4,5-d]pyrimidin-5-one (CID 68578956) is 2-[2-hydroxyethyl(methyl)amino]-7,8-dihydro-6H-pyrimido[4,5-d]pyrimidin-5-one.
What is the SMILES notation for 2-[2-hydroxyethyl(methyl)amino]-7,8-dihydro-6H-pyrimido[4,5-d]pyrimidin-5-one?
The canonical SMILES for 2-[2-hydroxyethyl(methyl)amino]-7,8-dihydro-6H-pyrimido[4,5-d]pyrimidin-5-one is CN(CCO)c1ncc2c(n1)NCNC2=O.
What is the InChIKey of 2-[2-hydroxyethyl(methyl)amino]-7,8-dihydro-6H-pyrimido[4,5-d]pyrimidin-5-one?
The InChIKey is MUUZBIZAZQJABD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5O2/c1-14(2-3-15)9-10-4-6-7(13-9)11-5-12-8(6)16/h4,15H,2-3,5H2,1H3,(H,12,16)(H,10,11,13).
What are the key properties of 2-[2-hydroxyethyl(methyl)amino]-7,8-dihydro-6H-pyrimido[4,5-d]pyrimidin-5-one?
2-[2-hydroxyethyl(methyl)amino]-7,8-dihydro-6H-pyrimido[4,5-d]pyrimidin-5-one has a molecular weight of 223.24 g/mol, XLogP of -0.98, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-hydroxyethyl(methyl)amino]-7,8-dihydro-6H-pyrimido[4,5-d]pyrimidin-5-one is sourced from PubChem (CID 68578956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).