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

C9H13N5O2 — CID 68578955

IUPAC2-[2-hydroxyethyl(methyl)amino]-6,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-7-one
SMILESCN(CCO)c1ncc2c(n1)NC(=O)NC2
InChIInChI=1S/C9H13N5O2/c1-14(2-3-15)8-10-4-6-5-11-9(16)13-7(6)12-8/h4,15H,2-3,5H2,1H3,(H2,10,11,12,13,16)
InChIKeySFLVIDCOSYCDDI-UHFFFAOYSA-N
MW223.24 g/mol
LogP-0.46
Rot. Bonds3

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

2-[2-hydroxyethyl(methyl)amino]-6,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-7-one (PubChem CID 68578955) has the molecular formula C9H13N5O2 and a molecular weight of 223.24 g/mol. Its IUPAC name is 2-[2-hydroxyethyl(methyl)amino]-6,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-7-one.

Molecular Properties

Compound Name2-[2-hydroxyethyl(methyl)amino]-6,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-7-one
PubChem CID68578955
Molecular FormulaC9H13N5O2
Molecular Weight223.24 g/mol
Exact Mass223.11
IUPAC Name2-[2-hydroxyethyl(methyl)amino]-6,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-7-one
SMILESCN(CCO)c1ncc2c(n1)NC(=O)NC2
InChIInChI=1S/C9H13N5O2/c1-14(2-3-15)8-10-4-6-5-11-9(16)13-7(6)12-8/h4,15H,2-3,5H2,1H3,(H2,10,11,12,13,16)
InChIKeySFLVIDCOSYCDDI-UHFFFAOYSA-N
XLogP-0.46
TPSA90.38 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.24
LogP ≤ 5-0.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-hydroxyethyl(methyl)amino]-6,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-7-one?
The IUPAC name of 2-[2-hydroxyethyl(methyl)amino]-6,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-7-one (CID 68578955) is 2-[2-hydroxyethyl(methyl)amino]-6,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-7-one.
What is the SMILES notation for 2-[2-hydroxyethyl(methyl)amino]-6,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-7-one?
The canonical SMILES for 2-[2-hydroxyethyl(methyl)amino]-6,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-7-one is CN(CCO)c1ncc2c(n1)NC(=O)NC2.
What is the InChIKey of 2-[2-hydroxyethyl(methyl)amino]-6,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-7-one?
The InChIKey is SFLVIDCOSYCDDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5O2/c1-14(2-3-15)8-10-4-6-5-11-9(16)13-7(6)12-8/h4,15H,2-3,5H2,1H3,(H2,10,11,12,13,16).
What are the key properties of 2-[2-hydroxyethyl(methyl)amino]-6,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-7-one?
2-[2-hydroxyethyl(methyl)amino]-6,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-7-one has a molecular weight of 223.24 g/mol, XLogP of -0.46, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-hydroxyethyl(methyl)amino]-6,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-7-one is sourced from PubChem (CID 68578955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).