2-[(1-hydroxy-2-methylpropan-2-yl)amino]-6,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-7-one

C10H15N5O2 — CID 68578905

IUPAC2-[(1-hydroxy-2-methylpropan-2-yl)amino]-6,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-7-one
SMILESCC(C)(CO)Nc1ncc2c(n1)NC(=O)NC2
InChIInChI=1S/C10H15N5O2/c1-10(2,5-16)15-8-11-3-6-4-12-9(17)14-7(6)13-8/h3,16H,4-5H2,1-2H3,(H3,11,12,13,14,15,17)
InChIKeyHZCXQLQBHNBRRL-UHFFFAOYSA-N
MW237.26 g/mol
LogP0.29
Rot. Bonds3

About 2-[(1-hydroxy-2-methylpropan-2-yl)amino]-6,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-7-one

2-[(1-hydroxy-2-methylpropan-2-yl)amino]-6,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-7-one (PubChem CID 68578905) has the molecular formula C10H15N5O2 and a molecular weight of 237.26 g/mol. Its IUPAC name is 2-[(1-hydroxy-2-methylpropan-2-yl)amino]-6,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-7-one.

Molecular Properties

Compound Name2-[(1-hydroxy-2-methylpropan-2-yl)amino]-6,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-7-one
PubChem CID68578905
Molecular FormulaC10H15N5O2
Molecular Weight237.26 g/mol
Exact Mass237.12
IUPAC Name2-[(1-hydroxy-2-methylpropan-2-yl)amino]-6,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-7-one
SMILESCC(C)(CO)Nc1ncc2c(n1)NC(=O)NC2
InChIInChI=1S/C10H15N5O2/c1-10(2,5-16)15-8-11-3-6-4-12-9(17)14-7(6)13-8/h3,16H,4-5H2,1-2H3,(H3,11,12,13,14,15,17)
InChIKeyHZCXQLQBHNBRRL-UHFFFAOYSA-N
XLogP0.29
TPSA99.17 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 50.29
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(1-hydroxy-2-methylpropan-2-yl)amino]-6,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-7-one?
The IUPAC name of 2-[(1-hydroxy-2-methylpropan-2-yl)amino]-6,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-7-one (CID 68578905) is 2-[(1-hydroxy-2-methylpropan-2-yl)amino]-6,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-7-one.
What is the SMILES notation for 2-[(1-hydroxy-2-methylpropan-2-yl)amino]-6,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-7-one?
The canonical SMILES for 2-[(1-hydroxy-2-methylpropan-2-yl)amino]-6,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-7-one is CC(C)(CO)Nc1ncc2c(n1)NC(=O)NC2.
What is the InChIKey of 2-[(1-hydroxy-2-methylpropan-2-yl)amino]-6,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-7-one?
The InChIKey is HZCXQLQBHNBRRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O2/c1-10(2,5-16)15-8-11-3-6-4-12-9(17)14-7(6)13-8/h3,16H,4-5H2,1-2H3,(H3,11,12,13,14,15,17).
What are the key properties of 2-[(1-hydroxy-2-methylpropan-2-yl)amino]-6,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-7-one?
2-[(1-hydroxy-2-methylpropan-2-yl)amino]-6,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-7-one has a molecular weight of 237.26 g/mol, XLogP of 0.29, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-hydroxy-2-methylpropan-2-yl)amino]-6,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-7-one is sourced from PubChem (CID 68578905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).