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

C13H17N5O — CID 95635195

IUPAC6-imidazol-1-yl-N-[(1S)-1-[(2S)-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-QWRGUYRKSA-N
MW259.31 g/mol
LogP1.64
Rot. Bonds4

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

6-imidazol-1-yl-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]pyrimidin-4-amine (PubChem CID 95635195) 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-[(2S)-oxolan-2-yl]ethyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-imidazol-1-yl-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]pyrimidin-4-amine
PubChem CID95635195
Molecular FormulaC13H17N5O
Molecular Weight259.31 g/mol
Exact Mass259.14
IUPAC Name6-imidazol-1-yl-N-[(1S)-1-[(2S)-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-QWRGUYRKSA-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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Related Compounds

4-N-[1-(oxolan-2-yl)ethyl]-6-N-propylpyrimidine-4,6-diamine
CID 80781938
2-methyl-4-N-[1-(oxolan-2-yl)ethyl]pyrimidine-4,6-diamine
CID 80780884
4-imidazol-1-yl-6-propan-2-ylpyrimidine
CID 63811489
N-[1-(oxolan-2-yl)ethyl]-2-propan-2-ylpyrimidin-4-amine
CID 133290907
6-chloro-N-[1-(oxolan-2-yl)ethyl]-2-propylpyrimidin-4-amine
CID 80940573
6-imidazol-1-yl-N-[(1-methylpyrazol-4-yl)-pyridin-3-ylmethyl]pyrimidin-4-amine
CID 167818898
2-ethyl-4-N-[1-(oxolan-2-yl)ethyl]-6-N-propylpyrimidine-4,6-diamine
CID 80933538
7-methyl-N-[1-(oxolan-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridin-5-amine
CID 43433068
4-N-[1-(oxolan-2-yl)ethyl]quinazoline-4,7-diamine
CID 65337393
4-N-[1-(oxolan-2-yl)ethyl]benzene-1,2,4-triamine
CID 106750412
5-methoxy-2-methyl-N-[1-(oxolan-2-yl)ethyl]pyridin-4-amine
CID 106660284
6-N-methyl-2-methylsulfanyl-4-N-[1-(oxolan-2-yl)ethyl]pyrimidine-4,6-diamine
CID 80782113

Frequently Asked Questions

What is the IUPAC name of 6-imidazol-1-yl-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]pyrimidin-4-amine?
The IUPAC name of 6-imidazol-1-yl-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]pyrimidin-4-amine (CID 95635195) is 6-imidazol-1-yl-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]pyrimidin-4-amine.
What is the SMILES notation for 6-imidazol-1-yl-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]pyrimidin-4-amine?
The canonical SMILES for 6-imidazol-1-yl-N-[(1S)-1-[(2S)-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-[(2S)-oxolan-2-yl]ethyl]pyrimidin-4-amine?
The InChIKey is JPUICUJQJWLWRC-QWRGUYRKSA-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-[(2S)-oxolan-2-yl]ethyl]pyrimidin-4-amine?
6-imidazol-1-yl-N-[(1S)-1-[(2S)-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-[(2S)-oxolan-2-yl]ethyl]pyrimidin-4-amine is sourced from PubChem (CID 95635195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).