4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-(hexylamino)-1H-pyrimidin-6-one

C16H28N4O2 — CID 156533567

IUPAC4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-(hexylamino)-1H-pyrimidin-6-one
SMILESCCCCCCNc1nc(N2C[C@H](C)O[C@@H](C)C2)cc(=O)[nH]1
InChIInChI=1S/C16H28N4O2/c1-4-5-6-7-8-17-16-18-14(9-15(21)19-16)20-10-12(2)22-13(3)11-20/h9,12-13H,4-8,10-11H2,1-3H3,(H2,17,18,19,21)/t12-,13-/m0/s1
InChIKeyPGPPDEFUJGHMPA-STQMWFEESA-N
MW308.43 g/mol
LogP2.38
Rot. Bonds7

About 4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-(hexylamino)-1H-pyrimidin-6-one

4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-(hexylamino)-1H-pyrimidin-6-one (PubChem CID 156533567) has the molecular formula C16H28N4O2 and a molecular weight of 308.43 g/mol. Its IUPAC name is 4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-(hexylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-(hexylamino)-1H-pyrimidin-6-one
PubChem CID156533567
Molecular FormulaC16H28N4O2
Molecular Weight308.43 g/mol
Exact Mass308.22
IUPAC Name4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-(hexylamino)-1H-pyrimidin-6-one
SMILESCCCCCCNc1nc(N2C[C@H](C)O[C@@H](C)C2)cc(=O)[nH]1
InChIInChI=1S/C16H28N4O2/c1-4-5-6-7-8-17-16-18-14(9-15(21)19-16)20-10-12(2)22-13(3)11-20/h9,12-13H,4-8,10-11H2,1-3H3,(H2,17,18,19,21)/t12-,13-/m0/s1
InChIKeyPGPPDEFUJGHMPA-STQMWFEESA-N
XLogP2.38
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-(hexylamino)-1H-pyrimidin-6-one?
The IUPAC name of 4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-(hexylamino)-1H-pyrimidin-6-one (CID 156533567) is 4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-(hexylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-(hexylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-(hexylamino)-1H-pyrimidin-6-one is CCCCCCNc1nc(N2C[C@H](C)O[C@@H](C)C2)cc(=O)[nH]1.
What is the InChIKey of 4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-(hexylamino)-1H-pyrimidin-6-one?
The InChIKey is PGPPDEFUJGHMPA-STQMWFEESA-N. The full InChI is InChI=1S/C16H28N4O2/c1-4-5-6-7-8-17-16-18-14(9-15(21)19-16)20-10-12(2)22-13(3)11-20/h9,12-13H,4-8,10-11H2,1-3H3,(H2,17,18,19,21)/t12-,13-/m0/s1.
What are the key properties of 4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-(hexylamino)-1H-pyrimidin-6-one?
4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-(hexylamino)-1H-pyrimidin-6-one has a molecular weight of 308.43 g/mol, XLogP of 2.38, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-(hexylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 156533567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).