9-[(2S)-2-hydroxy-2-phenylethyl]-2-pyrimidin-4-yl-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one

C19H19N5O2 — CID 10291470

IUPAC9-[(2S)-2-hydroxy-2-phenylethyl]-2-pyrimidin-4-yl-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one
SMILESO=c1cc(-c2ccncn2)nc2n1CCCN2C[C@@H](O)c1ccccc1
InChIInChI=1S/C19H19N5O2/c25-17(14-5-2-1-3-6-14)12-23-9-4-10-24-18(26)11-16(22-19(23)24)15-7-8-20-13-21-15/h1-3,5-8,11,13,17,25H,4,9-10,12H2/t17-/m1/s1
InChIKeyYEUNKPUKALOQKS-QGZVFWFLSA-N
MW349.39 g/mol
LogP1.64
Rot. Bonds4

About 9-[(2S)-2-hydroxy-2-phenylethyl]-2-pyrimidin-4-yl-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one

9-[(2S)-2-hydroxy-2-phenylethyl]-2-pyrimidin-4-yl-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one (PubChem CID 10291470) has the molecular formula C19H19N5O2 and a molecular weight of 349.39 g/mol. Its IUPAC name is 9-[(2S)-2-hydroxy-2-phenylethyl]-2-pyrimidin-4-yl-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name9-[(2S)-2-hydroxy-2-phenylethyl]-2-pyrimidin-4-yl-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one
PubChem CID10291470
Molecular FormulaC19H19N5O2
Molecular Weight349.39 g/mol
Exact Mass349.15
IUPAC Name9-[(2S)-2-hydroxy-2-phenylethyl]-2-pyrimidin-4-yl-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one
SMILESO=c1cc(-c2ccncn2)nc2n1CCCN2C[C@@H](O)c1ccccc1
InChIInChI=1S/C19H19N5O2/c25-17(14-5-2-1-3-6-14)12-23-9-4-10-24-18(26)11-16(22-19(23)24)15-7-8-20-13-21-15/h1-3,5-8,11,13,17,25H,4,9-10,12H2/t17-/m1/s1
InChIKeyYEUNKPUKALOQKS-QGZVFWFLSA-N
XLogP1.64
TPSA84.14 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 9-[(2S)-2-hydroxy-2-phenylethyl]-2-pyrimidin-4-yl-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one?
The IUPAC name of 9-[(2S)-2-hydroxy-2-phenylethyl]-2-pyrimidin-4-yl-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one (CID 10291470) is 9-[(2S)-2-hydroxy-2-phenylethyl]-2-pyrimidin-4-yl-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 9-[(2S)-2-hydroxy-2-phenylethyl]-2-pyrimidin-4-yl-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 9-[(2S)-2-hydroxy-2-phenylethyl]-2-pyrimidin-4-yl-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one is O=c1cc(-c2ccncn2)nc2n1CCCN2C[C@@H](O)c1ccccc1.
What is the InChIKey of 9-[(2S)-2-hydroxy-2-phenylethyl]-2-pyrimidin-4-yl-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one?
The InChIKey is YEUNKPUKALOQKS-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H19N5O2/c25-17(14-5-2-1-3-6-14)12-23-9-4-10-24-18(26)11-16(22-19(23)24)15-7-8-20-13-21-15/h1-3,5-8,11,13,17,25H,4,9-10,12H2/t17-/m1/s1.
What are the key properties of 9-[(2S)-2-hydroxy-2-phenylethyl]-2-pyrimidin-4-yl-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one?
9-[(2S)-2-hydroxy-2-phenylethyl]-2-pyrimidin-4-yl-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one has a molecular weight of 349.39 g/mol, XLogP of 1.64, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(2S)-2-hydroxy-2-phenylethyl]-2-pyrimidin-4-yl-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 10291470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).