6-hydroxy-5-[[(2R)-1-hydroxy-3-phenylpropan-2-yl]iminomethyl]-1,3-dimethylpyrimidine-2,4-dione

C16H19N3O4 — CID 135895720

IUPAC6-hydroxy-5-[[(2R)-1-hydroxy-3-phenylpropan-2-yl]iminomethyl]-1,3-dimethylpyrimidine-2,4-dione
SMILESCn1c(O)c(/C=N/[C@@H](CO)Cc2ccccc2)c(=O)n(C)c1=O
InChIInChI=1S/C16H19N3O4/c1-18-14(21)13(15(22)19(2)16(18)23)9-17-12(10-20)8-11-6-4-3-5-7-11/h3-7,9,12,20-21H,8,10H2,1-2H3/b17-9+/t12-/m1/s1
InChIKeyPQCARMLJLQNECZ-UDPFGDFPSA-N
MW317.35 g/mol
LogP-0.19
Rot. Bonds5

About 6-hydroxy-5-[[(2R)-1-hydroxy-3-phenylpropan-2-yl]iminomethyl]-1,3-dimethylpyrimidine-2,4-dione

6-hydroxy-5-[[(2R)-1-hydroxy-3-phenylpropan-2-yl]iminomethyl]-1,3-dimethylpyrimidine-2,4-dione (PubChem CID 135895720) has the molecular formula C16H19N3O4 and a molecular weight of 317.35 g/mol. Its IUPAC name is 6-hydroxy-5-[[(2R)-1-hydroxy-3-phenylpropan-2-yl]iminomethyl]-1,3-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-hydroxy-5-[[(2R)-1-hydroxy-3-phenylpropan-2-yl]iminomethyl]-1,3-dimethylpyrimidine-2,4-dione
PubChem CID135895720
Molecular FormulaC16H19N3O4
Molecular Weight317.35 g/mol
Exact Mass317.14
IUPAC Name6-hydroxy-5-[[(2R)-1-hydroxy-3-phenylpropan-2-yl]iminomethyl]-1,3-dimethylpyrimidine-2,4-dione
SMILESCn1c(O)c(/C=N/[C@@H](CO)Cc2ccccc2)c(=O)n(C)c1=O
InChIInChI=1S/C16H19N3O4/c1-18-14(21)13(15(22)19(2)16(18)23)9-17-12(10-20)8-11-6-4-3-5-7-11/h3-7,9,12,20-21H,8,10H2,1-2H3/b17-9+/t12-/m1/s1
InChIKeyPQCARMLJLQNECZ-UDPFGDFPSA-N
XLogP-0.19
TPSA96.82 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 5-0.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

3-(4-hydroxy-3,5-diiodophenyl)-2-[(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)methylideneamino]propanoic acid
CID 4839217
6-hydroxy-1,3-dimethyl-5-[(4-phenyldiazenylphenyl)iminomethyl]pyrimidine-2,4-dione
CID 137073260
1-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]iminomethyl]naphthalen-2-ol
CID 137225852
1-[2-(3,4-dimethoxyphenyl)ethyl]-6-hydroxy-5-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]iminomethyl]pyrimidine-2,4-dione
CID 135900847
5-[(Z)-[(Z)-anthracen-9-ylmethylidenehydrazinylidene]methyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione
CID 135548542
6-hydroxy-5-[(4-hydroxyphenyl)iminomethyl]-1,3-dimethylpyrimidine-2,4-dione
CID 4623736
6-hydroxy-5-[(4-methoxyphenyl)methyliminomethyl]-1,3-dimethylpyrimidine-2,4-dione
CID 4783672
5-[(4-chlorophenyl)iminomethyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione
CID 2288283
4-chloro-2-[[(2R)-1-hydroxy-3-phenylpropan-2-yl]iminomethyl]phenol
CID 145079806
6-hydroxy-1,3-dimethyl-5-[[4-(pyridin-4-ylmethyl)phenyl]iminomethyl]pyrimidine-2,4-dione
CID 657430
5-[[(1R)-1-(1-adamantyl)ethyl]iminomethyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione
CID 135934834
6-hydroxy-5-[[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]iminomethyl]-1,3-dimethylpyrimidine-2,4-dione
CID 135680734

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-5-[[(2R)-1-hydroxy-3-phenylpropan-2-yl]iminomethyl]-1,3-dimethylpyrimidine-2,4-dione?
The IUPAC name of 6-hydroxy-5-[[(2R)-1-hydroxy-3-phenylpropan-2-yl]iminomethyl]-1,3-dimethylpyrimidine-2,4-dione (CID 135895720) is 6-hydroxy-5-[[(2R)-1-hydroxy-3-phenylpropan-2-yl]iminomethyl]-1,3-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 6-hydroxy-5-[[(2R)-1-hydroxy-3-phenylpropan-2-yl]iminomethyl]-1,3-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 6-hydroxy-5-[[(2R)-1-hydroxy-3-phenylpropan-2-yl]iminomethyl]-1,3-dimethylpyrimidine-2,4-dione is Cn1c(O)c(/C=N/[C@@H](CO)Cc2ccccc2)c(=O)n(C)c1=O.
What is the InChIKey of 6-hydroxy-5-[[(2R)-1-hydroxy-3-phenylpropan-2-yl]iminomethyl]-1,3-dimethylpyrimidine-2,4-dione?
The InChIKey is PQCARMLJLQNECZ-UDPFGDFPSA-N. The full InChI is InChI=1S/C16H19N3O4/c1-18-14(21)13(15(22)19(2)16(18)23)9-17-12(10-20)8-11-6-4-3-5-7-11/h3-7,9,12,20-21H,8,10H2,1-2H3/b17-9+/t12-/m1/s1.
What are the key properties of 6-hydroxy-5-[[(2R)-1-hydroxy-3-phenylpropan-2-yl]iminomethyl]-1,3-dimethylpyrimidine-2,4-dione?
6-hydroxy-5-[[(2R)-1-hydroxy-3-phenylpropan-2-yl]iminomethyl]-1,3-dimethylpyrimidine-2,4-dione has a molecular weight of 317.35 g/mol, XLogP of -0.19, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-5-[[(2R)-1-hydroxy-3-phenylpropan-2-yl]iminomethyl]-1,3-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 135895720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).