6-imidazol-1-yl-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]pyrimidin-4-amine

C13H17N5O — CID 95635197

IUPAC6-imidazol-1-yl-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]pyrimidin-4-amine
SMILESC[C@H](Nc1cc(-n2ccnc2)ncn1)[C@H]1CCCO1
InChIInChI=1S/C13H17N5O/c1-10(11-3-2-6-19-11)17-12-7-13(16-8-15-12)18-5-4-14-9-18/h4-5,7-11H,2-3,6H2,1H3,(H,15,16,17)/t10-,11+/m0/s1
InChIKeyJPUICUJQJWLWRC-WDEREUQCSA-N
MW259.31 g/mol
LogP1.64
Rot. Bonds4

About 6-imidazol-1-yl-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]pyrimidin-4-amine

6-imidazol-1-yl-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]pyrimidin-4-amine (PubChem CID 95635197) has the molecular formula C13H17N5O and a molecular weight of 259.31 g/mol. Its IUPAC name is 6-imidazol-1-yl-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-imidazol-1-yl-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]pyrimidin-4-amine
PubChem CID95635197
Molecular FormulaC13H17N5O
Molecular Weight259.31 g/mol
Exact Mass259.14
IUPAC Name6-imidazol-1-yl-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]pyrimidin-4-amine
SMILESC[C@H](Nc1cc(-n2ccnc2)ncn1)[C@H]1CCCO1
InChIInChI=1S/C13H17N5O/c1-10(11-3-2-6-19-11)17-12-7-13(16-8-15-12)18-5-4-14-9-18/h4-5,7-11H,2-3,6H2,1H3,(H,15,16,17)/t10-,11+/m0/s1
InChIKeyJPUICUJQJWLWRC-WDEREUQCSA-N
XLogP1.64
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-imidazol-1-yl-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]pyrimidin-4-amine?
The IUPAC name of 6-imidazol-1-yl-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]pyrimidin-4-amine (CID 95635197) is 6-imidazol-1-yl-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]pyrimidin-4-amine.
What is the SMILES notation for 6-imidazol-1-yl-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]pyrimidin-4-amine?
The canonical SMILES for 6-imidazol-1-yl-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]pyrimidin-4-amine is C[C@H](Nc1cc(-n2ccnc2)ncn1)[C@H]1CCCO1.
What is the InChIKey of 6-imidazol-1-yl-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]pyrimidin-4-amine?
The InChIKey is JPUICUJQJWLWRC-WDEREUQCSA-N. The full InChI is InChI=1S/C13H17N5O/c1-10(11-3-2-6-19-11)17-12-7-13(16-8-15-12)18-5-4-14-9-18/h4-5,7-11H,2-3,6H2,1H3,(H,15,16,17)/t10-,11+/m0/s1.
What are the key properties of 6-imidazol-1-yl-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]pyrimidin-4-amine?
6-imidazol-1-yl-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]pyrimidin-4-amine has a molecular weight of 259.31 g/mol, XLogP of 1.64, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-imidazol-1-yl-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]pyrimidin-4-amine is sourced from PubChem (CID 95635197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).