2-(2-pyrrolidin-1-ylethylamino)-6,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-7-one

C12H18N6O — CID 68580011

IUPAC2-(2-pyrrolidin-1-ylethylamino)-6,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-7-one
SMILESO=C1NCc2cnc(NCCN3CCCC3)nc2N1
InChIInChI=1S/C12H18N6O/c19-12-15-8-9-7-14-11(16-10(9)17-12)13-3-6-18-4-1-2-5-18/h7H,1-6,8H2,(H3,13,14,15,16,17,19)
InChIKeySWULLUNZDHSGRJ-UHFFFAOYSA-N
MW262.32 g/mol
LogP0.62
Rot. Bonds4

About 2-(2-pyrrolidin-1-ylethylamino)-6,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-7-one

2-(2-pyrrolidin-1-ylethylamino)-6,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-7-one (PubChem CID 68580011) has the molecular formula C12H18N6O and a molecular weight of 262.32 g/mol. Its IUPAC name is 2-(2-pyrrolidin-1-ylethylamino)-6,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-7-one.

Molecular Properties

Compound Name2-(2-pyrrolidin-1-ylethylamino)-6,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-7-one
PubChem CID68580011
Molecular FormulaC12H18N6O
Molecular Weight262.32 g/mol
Exact Mass262.15
IUPAC Name2-(2-pyrrolidin-1-ylethylamino)-6,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-7-one
SMILESO=C1NCc2cnc(NCCN3CCCC3)nc2N1
InChIInChI=1S/C12H18N6O/c19-12-15-8-9-7-14-11(16-10(9)17-12)13-3-6-18-4-1-2-5-18/h7H,1-6,8H2,(H3,13,14,15,16,17,19)
InChIKeySWULLUNZDHSGRJ-UHFFFAOYSA-N
XLogP0.62
TPSA82.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.32
LogP ≤ 50.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-pyrrolidin-1-ylethylamino)-6,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-7-one?
The IUPAC name of 2-(2-pyrrolidin-1-ylethylamino)-6,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-7-one (CID 68580011) is 2-(2-pyrrolidin-1-ylethylamino)-6,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-7-one.
What is the SMILES notation for 2-(2-pyrrolidin-1-ylethylamino)-6,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-7-one?
The canonical SMILES for 2-(2-pyrrolidin-1-ylethylamino)-6,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-7-one is O=C1NCc2cnc(NCCN3CCCC3)nc2N1.
What is the InChIKey of 2-(2-pyrrolidin-1-ylethylamino)-6,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-7-one?
The InChIKey is SWULLUNZDHSGRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6O/c19-12-15-8-9-7-14-11(16-10(9)17-12)13-3-6-18-4-1-2-5-18/h7H,1-6,8H2,(H3,13,14,15,16,17,19).
What are the key properties of 2-(2-pyrrolidin-1-ylethylamino)-6,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-7-one?
2-(2-pyrrolidin-1-ylethylamino)-6,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-7-one has a molecular weight of 262.32 g/mol, XLogP of 0.62, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-pyrrolidin-1-ylethylamino)-6,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-7-one is sourced from PubChem (CID 68580011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).