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

C10H15N5O2 — CID 68578909

IUPAC2-[(1-hydroxy-2-methylpropan-2-yl)amino]-7,8-dihydro-6H-pyrimido[4,5-d]pyrimidin-5-one
SMILESCC(C)(CO)Nc1ncc2c(n1)NCNC2=O
InChIInChI=1S/C10H15N5O2/c1-10(2,4-16)15-9-11-3-6-7(14-9)12-5-13-8(6)17/h3,16H,4-5H2,1-2H3,(H,13,17)(H2,11,12,14,15)
InChIKeySSGOVRIHKKIKAE-UHFFFAOYSA-N
MW237.26 g/mol
LogP-0.23
Rot. Bonds3

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

2-[(1-hydroxy-2-methylpropan-2-yl)amino]-7,8-dihydro-6H-pyrimido[4,5-d]pyrimidin-5-one (PubChem CID 68578909) 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]-7,8-dihydro-6H-pyrimido[4,5-d]pyrimidin-5-one.

Molecular Properties

Compound Name2-[(1-hydroxy-2-methylpropan-2-yl)amino]-7,8-dihydro-6H-pyrimido[4,5-d]pyrimidin-5-one
PubChem CID68578909
Molecular FormulaC10H15N5O2
Molecular Weight237.26 g/mol
Exact Mass237.12
IUPAC Name2-[(1-hydroxy-2-methylpropan-2-yl)amino]-7,8-dihydro-6H-pyrimido[4,5-d]pyrimidin-5-one
SMILESCC(C)(CO)Nc1ncc2c(n1)NCNC2=O
InChIInChI=1S/C10H15N5O2/c1-10(2,4-16)15-9-11-3-6-7(14-9)12-5-13-8(6)17/h3,16H,4-5H2,1-2H3,(H,13,17)(H2,11,12,14,15)
InChIKeySSGOVRIHKKIKAE-UHFFFAOYSA-N
XLogP-0.23
TPSA99.17 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 5-0.23
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(1-hydroxy-2-methylpropan-2-yl)amino]-7,8-dihydro-6H-pyrimido[4,5-d]pyrimidin-5-one?
The IUPAC name of 2-[(1-hydroxy-2-methylpropan-2-yl)amino]-7,8-dihydro-6H-pyrimido[4,5-d]pyrimidin-5-one (CID 68578909) is 2-[(1-hydroxy-2-methylpropan-2-yl)amino]-7,8-dihydro-6H-pyrimido[4,5-d]pyrimidin-5-one.
What is the SMILES notation for 2-[(1-hydroxy-2-methylpropan-2-yl)amino]-7,8-dihydro-6H-pyrimido[4,5-d]pyrimidin-5-one?
The canonical SMILES for 2-[(1-hydroxy-2-methylpropan-2-yl)amino]-7,8-dihydro-6H-pyrimido[4,5-d]pyrimidin-5-one is CC(C)(CO)Nc1ncc2c(n1)NCNC2=O.
What is the InChIKey of 2-[(1-hydroxy-2-methylpropan-2-yl)amino]-7,8-dihydro-6H-pyrimido[4,5-d]pyrimidin-5-one?
The InChIKey is SSGOVRIHKKIKAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O2/c1-10(2,4-16)15-9-11-3-6-7(14-9)12-5-13-8(6)17/h3,16H,4-5H2,1-2H3,(H,13,17)(H2,11,12,14,15).
What are the key properties of 2-[(1-hydroxy-2-methylpropan-2-yl)amino]-7,8-dihydro-6H-pyrimido[4,5-d]pyrimidin-5-one?
2-[(1-hydroxy-2-methylpropan-2-yl)amino]-7,8-dihydro-6H-pyrimido[4,5-d]pyrimidin-5-one has a molecular weight of 237.26 g/mol, XLogP of -0.23, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-hydroxy-2-methylpropan-2-yl)amino]-7,8-dihydro-6H-pyrimido[4,5-d]pyrimidin-5-one is sourced from PubChem (CID 68578909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).