2-[(1,3-dihydroxy-2-methylpropan-2-yl)amino]-6,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-7-one

C10H15N5O3 — CID 68578851

IUPAC2-[(1,3-dihydroxy-2-methylpropan-2-yl)amino]-6,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-7-one
SMILESCC(CO)(CO)Nc1ncc2c(n1)NC(=O)NC2
InChIInChI=1S/C10H15N5O3/c1-10(4-16,5-17)15-8-11-2-6-3-12-9(18)14-7(6)13-8/h2,16-17H,3-5H2,1H3,(H3,11,12,13,14,15,18)
InChIKeyIRDOUQAFQULPHJ-UHFFFAOYSA-N
MW253.26 g/mol
LogP-0.73
Rot. Bonds4

About 2-[(1,3-dihydroxy-2-methylpropan-2-yl)amino]-6,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-7-one

2-[(1,3-dihydroxy-2-methylpropan-2-yl)amino]-6,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-7-one (PubChem CID 68578851) has the molecular formula C10H15N5O3 and a molecular weight of 253.26 g/mol. Its IUPAC name is 2-[(1,3-dihydroxy-2-methylpropan-2-yl)amino]-6,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-7-one.

Molecular Properties

Compound Name2-[(1,3-dihydroxy-2-methylpropan-2-yl)amino]-6,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-7-one
PubChem CID68578851
Molecular FormulaC10H15N5O3
Molecular Weight253.26 g/mol
Exact Mass253.12
IUPAC Name2-[(1,3-dihydroxy-2-methylpropan-2-yl)amino]-6,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-7-one
SMILESCC(CO)(CO)Nc1ncc2c(n1)NC(=O)NC2
InChIInChI=1S/C10H15N5O3/c1-10(4-16,5-17)15-8-11-2-6-3-12-9(18)14-7(6)13-8/h2,16-17H,3-5H2,1H3,(H3,11,12,13,14,15,18)
InChIKeyIRDOUQAFQULPHJ-UHFFFAOYSA-N
XLogP-0.73
TPSA119.40 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 5-0.73
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(1,3-dihydroxy-2-methylpropan-2-yl)amino]-6,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-7-one?
The IUPAC name of 2-[(1,3-dihydroxy-2-methylpropan-2-yl)amino]-6,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-7-one (CID 68578851) is 2-[(1,3-dihydroxy-2-methylpropan-2-yl)amino]-6,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-7-one.
What is the SMILES notation for 2-[(1,3-dihydroxy-2-methylpropan-2-yl)amino]-6,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-7-one?
The canonical SMILES for 2-[(1,3-dihydroxy-2-methylpropan-2-yl)amino]-6,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-7-one is CC(CO)(CO)Nc1ncc2c(n1)NC(=O)NC2.
What is the InChIKey of 2-[(1,3-dihydroxy-2-methylpropan-2-yl)amino]-6,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-7-one?
The InChIKey is IRDOUQAFQULPHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O3/c1-10(4-16,5-17)15-8-11-2-6-3-12-9(18)14-7(6)13-8/h2,16-17H,3-5H2,1H3,(H3,11,12,13,14,15,18).
What are the key properties of 2-[(1,3-dihydroxy-2-methylpropan-2-yl)amino]-6,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-7-one?
2-[(1,3-dihydroxy-2-methylpropan-2-yl)amino]-6,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-7-one has a molecular weight of 253.26 g/mol, XLogP of -0.73, 4 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1,3-dihydroxy-2-methylpropan-2-yl)amino]-6,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-7-one is sourced from PubChem (CID 68578851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).