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

C10H15N5O2 — CID 68578975

IUPAC8-[(1-hydroxy-2-methylpropan-2-yl)amino]-6,7-dihydropyrimido[4,5-d]pyrimidin-5-one
SMILESCC(C)(CO)NN1CNC(=O)c2cncnc21
InChIInChI=1S/C10H15N5O2/c1-10(2,4-16)14-15-6-13-9(17)7-3-11-5-12-8(7)15/h3,5,14,16H,4,6H2,1-2H3,(H,13,17)
InChIKeyFZUCHLNYAGWDAK-UHFFFAOYSA-N
MW237.26 g/mol
LogP-0.74
Rot. Bonds3

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

8-[(1-hydroxy-2-methylpropan-2-yl)amino]-6,7-dihydropyrimido[4,5-d]pyrimidin-5-one (PubChem CID 68578975) has the molecular formula C10H15N5O2 and a molecular weight of 237.26 g/mol. Its IUPAC name is 8-[(1-hydroxy-2-methylpropan-2-yl)amino]-6,7-dihydropyrimido[4,5-d]pyrimidin-5-one.

Molecular Properties

Compound Name8-[(1-hydroxy-2-methylpropan-2-yl)amino]-6,7-dihydropyrimido[4,5-d]pyrimidin-5-one
PubChem CID68578975
Molecular FormulaC10H15N5O2
Molecular Weight237.26 g/mol
Exact Mass237.12
IUPAC Name8-[(1-hydroxy-2-methylpropan-2-yl)amino]-6,7-dihydropyrimido[4,5-d]pyrimidin-5-one
SMILESCC(C)(CO)NN1CNC(=O)c2cncnc21
InChIInChI=1S/C10H15N5O2/c1-10(2,4-16)14-15-6-13-9(17)7-3-11-5-12-8(7)15/h3,5,14,16H,4,6H2,1-2H3,(H,13,17)
InChIKeyFZUCHLNYAGWDAK-UHFFFAOYSA-N
XLogP-0.74
TPSA90.38 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 5-0.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-[(1-hydroxy-2-methylpropan-2-yl)amino]-6,7-dihydropyrimido[4,5-d]pyrimidin-5-one?
The IUPAC name of 8-[(1-hydroxy-2-methylpropan-2-yl)amino]-6,7-dihydropyrimido[4,5-d]pyrimidin-5-one (CID 68578975) is 8-[(1-hydroxy-2-methylpropan-2-yl)amino]-6,7-dihydropyrimido[4,5-d]pyrimidin-5-one.
What is the SMILES notation for 8-[(1-hydroxy-2-methylpropan-2-yl)amino]-6,7-dihydropyrimido[4,5-d]pyrimidin-5-one?
The canonical SMILES for 8-[(1-hydroxy-2-methylpropan-2-yl)amino]-6,7-dihydropyrimido[4,5-d]pyrimidin-5-one is CC(C)(CO)NN1CNC(=O)c2cncnc21.
What is the InChIKey of 8-[(1-hydroxy-2-methylpropan-2-yl)amino]-6,7-dihydropyrimido[4,5-d]pyrimidin-5-one?
The InChIKey is FZUCHLNYAGWDAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O2/c1-10(2,4-16)14-15-6-13-9(17)7-3-11-5-12-8(7)15/h3,5,14,16H,4,6H2,1-2H3,(H,13,17).
What are the key properties of 8-[(1-hydroxy-2-methylpropan-2-yl)amino]-6,7-dihydropyrimido[4,5-d]pyrimidin-5-one?
8-[(1-hydroxy-2-methylpropan-2-yl)amino]-6,7-dihydropyrimido[4,5-d]pyrimidin-5-one has a molecular weight of 237.26 g/mol, XLogP of -0.74, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(1-hydroxy-2-methylpropan-2-yl)amino]-6,7-dihydropyrimido[4,5-d]pyrimidin-5-one is sourced from PubChem (CID 68578975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).