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

C9H13N5O2 — CID 68579076

IUPAC8-[[(2R)-1-hydroxypropan-2-yl]amino]-6,7-dihydropyrimido[4,5-d]pyrimidin-5-one
SMILESC[C@H](CO)NN1CNC(=O)c2cncnc21
InChIInChI=1S/C9H13N5O2/c1-6(3-15)13-14-5-12-9(16)7-2-10-4-11-8(7)14/h2,4,6,13,15H,3,5H2,1H3,(H,12,16)/t6-/m1/s1
InChIKeyCBWXNTQTNIYVSG-ZCFIWIBFSA-N
MW223.24 g/mol
LogP-1.13
Rot. Bonds3

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

8-[[(2R)-1-hydroxypropan-2-yl]amino]-6,7-dihydropyrimido[4,5-d]pyrimidin-5-one (PubChem CID 68579076) has the molecular formula C9H13N5O2 and a molecular weight of 223.24 g/mol. Its IUPAC name is 8-[[(2R)-1-hydroxypropan-2-yl]amino]-6,7-dihydropyrimido[4,5-d]pyrimidin-5-one.

Molecular Properties

Compound Name8-[[(2R)-1-hydroxypropan-2-yl]amino]-6,7-dihydropyrimido[4,5-d]pyrimidin-5-one
PubChem CID68579076
Molecular FormulaC9H13N5O2
Molecular Weight223.24 g/mol
Exact Mass223.11
IUPAC Name8-[[(2R)-1-hydroxypropan-2-yl]amino]-6,7-dihydropyrimido[4,5-d]pyrimidin-5-one
SMILESC[C@H](CO)NN1CNC(=O)c2cncnc21
InChIInChI=1S/C9H13N5O2/c1-6(3-15)13-14-5-12-9(16)7-2-10-4-11-8(7)14/h2,4,6,13,15H,3,5H2,1H3,(H,12,16)/t6-/m1/s1
InChIKeyCBWXNTQTNIYVSG-ZCFIWIBFSA-N
XLogP-1.13
TPSA90.38 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.24
LogP ≤ 5-1.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-[[(2R)-1-hydroxypropan-2-yl]amino]-6,7-dihydropyrimido[4,5-d]pyrimidin-5-one?
The IUPAC name of 8-[[(2R)-1-hydroxypropan-2-yl]amino]-6,7-dihydropyrimido[4,5-d]pyrimidin-5-one (CID 68579076) is 8-[[(2R)-1-hydroxypropan-2-yl]amino]-6,7-dihydropyrimido[4,5-d]pyrimidin-5-one.
What is the SMILES notation for 8-[[(2R)-1-hydroxypropan-2-yl]amino]-6,7-dihydropyrimido[4,5-d]pyrimidin-5-one?
The canonical SMILES for 8-[[(2R)-1-hydroxypropan-2-yl]amino]-6,7-dihydropyrimido[4,5-d]pyrimidin-5-one is C[C@H](CO)NN1CNC(=O)c2cncnc21.
What is the InChIKey of 8-[[(2R)-1-hydroxypropan-2-yl]amino]-6,7-dihydropyrimido[4,5-d]pyrimidin-5-one?
The InChIKey is CBWXNTQTNIYVSG-ZCFIWIBFSA-N. The full InChI is InChI=1S/C9H13N5O2/c1-6(3-15)13-14-5-12-9(16)7-2-10-4-11-8(7)14/h2,4,6,13,15H,3,5H2,1H3,(H,12,16)/t6-/m1/s1.
What are the key properties of 8-[[(2R)-1-hydroxypropan-2-yl]amino]-6,7-dihydropyrimido[4,5-d]pyrimidin-5-one?
8-[[(2R)-1-hydroxypropan-2-yl]amino]-6,7-dihydropyrimido[4,5-d]pyrimidin-5-one has a molecular weight of 223.24 g/mol, XLogP of -1.13, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[[(2R)-1-hydroxypropan-2-yl]amino]-6,7-dihydropyrimido[4,5-d]pyrimidin-5-one is sourced from PubChem (CID 68579076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).