5-bromo-N-[[(2R,3S)-2-(2-ethylpyrazol-3-yl)oxolan-3-yl]methyl]pyrimidin-4-amine

C14H18BrN5O — CID 129005887

IUPAC5-bromo-N-[[(2R,3S)-2-(2-ethylpyrazol-3-yl)oxolan-3-yl]methyl]pyrimidin-4-amine
SMILESCCn1nccc1[C@@H]1OCC[C@H]1CNc1ncncc1Br
InChIInChI=1S/C14H18BrN5O/c1-2-20-12(3-5-19-20)13-10(4-6-21-13)7-17-14-11(15)8-16-9-18-14/h3,5,8-10,13H,2,4,6-7H2,1H3,(H,16,17,18)/t10-,13+/m0/s1
InChIKeyJXQBJTFWRCNGQS-GXFFZTMASA-N
MW352.24 g/mol
LogP2.65
Rot. Bonds5

About 5-bromo-N-[[(2R,3S)-2-(2-ethylpyrazol-3-yl)oxolan-3-yl]methyl]pyrimidin-4-amine

5-bromo-N-[[(2R,3S)-2-(2-ethylpyrazol-3-yl)oxolan-3-yl]methyl]pyrimidin-4-amine (PubChem CID 129005887) has the molecular formula C14H18BrN5O and a molecular weight of 352.24 g/mol. Its IUPAC name is 5-bromo-N-[[(2R,3S)-2-(2-ethylpyrazol-3-yl)oxolan-3-yl]methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-N-[[(2R,3S)-2-(2-ethylpyrazol-3-yl)oxolan-3-yl]methyl]pyrimidin-4-amine
PubChem CID129005887
Molecular FormulaC14H18BrN5O
Molecular Weight352.24 g/mol
Exact Mass351.07
IUPAC Name5-bromo-N-[[(2R,3S)-2-(2-ethylpyrazol-3-yl)oxolan-3-yl]methyl]pyrimidin-4-amine
SMILESCCn1nccc1[C@@H]1OCC[C@H]1CNc1ncncc1Br
InChIInChI=1S/C14H18BrN5O/c1-2-20-12(3-5-19-20)13-10(4-6-21-13)7-17-14-11(15)8-16-9-18-14/h3,5,8-10,13H,2,4,6-7H2,1H3,(H,16,17,18)/t10-,13+/m0/s1
InChIKeyJXQBJTFWRCNGQS-GXFFZTMASA-N
XLogP2.65
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.24
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-bromo-N-[[(2R,3S)-2-(2-ethylpyrazol-3-yl)oxolan-3-yl]methyl]pyrimidin-4-amine with MolForge

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Related Compounds

(3R)-N-[[(2R,3S)-2-(2-ethylpyrazol-3-yl)oxolan-3-yl]methyl]thian-3-amine
CID 129343353
N-[4-[[(2R,3S)-2-(2-ethylpyrazol-3-yl)oxolan-3-yl]methylamino]cyclohexyl]acetamide
CID 128976188
5-bromo-N-[(1-ethylpiperidin-4-yl)methyl]pyrimidin-4-amine
CID 66340780
1-methyl-N-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methyl]pyrazolo[4,5-d]pyrimidin-7-amine
CID 166278799
5-bromo-N-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methyl]pyrimidin-2-amine
CID 128992017
1-[(2R,3S)-2-(2-ethylpyrazol-3-yl)oxolan-3-yl]-N-[(4-methyl-1,3-thiazol-5-yl)methyl]methanamine
CID 128976192
N-[[(2R,3S)-2-(2-ethylpyrazol-3-yl)oxan-3-yl]methyl]isoquinolin-6-amine
CID 167830379
1-benzyl-N-[[(2R,3S)-2-(2-ethylpyrazol-3-yl)oxolan-3-yl]methyl]piperidin-3-amine
CID 128967418
N-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxan-3-yl]methyl]-5-phenylpyrimidin-4-amine
CID 138033808
1-[(2R,3S)-2-(2-ethylpyrazol-3-yl)oxolan-3-yl]-N-(imidazo[1,2-a]pyridin-5-ylmethyl)methanamine
CID 128992159
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1-[(2R,3S)-2-(2-ethylpyrazol-3-yl)oxolan-3-yl]methanamine
CID 128976265
5-chloro-2-methoxy-N-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methyl]pyrimidin-4-amine
CID 100694651

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[[(2R,3S)-2-(2-ethylpyrazol-3-yl)oxolan-3-yl]methyl]pyrimidin-4-amine?
The IUPAC name of 5-bromo-N-[[(2R,3S)-2-(2-ethylpyrazol-3-yl)oxolan-3-yl]methyl]pyrimidin-4-amine (CID 129005887) is 5-bromo-N-[[(2R,3S)-2-(2-ethylpyrazol-3-yl)oxolan-3-yl]methyl]pyrimidin-4-amine.
What is the SMILES notation for 5-bromo-N-[[(2R,3S)-2-(2-ethylpyrazol-3-yl)oxolan-3-yl]methyl]pyrimidin-4-amine?
The canonical SMILES for 5-bromo-N-[[(2R,3S)-2-(2-ethylpyrazol-3-yl)oxolan-3-yl]methyl]pyrimidin-4-amine is CCn1nccc1[C@@H]1OCC[C@H]1CNc1ncncc1Br.
What is the InChIKey of 5-bromo-N-[[(2R,3S)-2-(2-ethylpyrazol-3-yl)oxolan-3-yl]methyl]pyrimidin-4-amine?
The InChIKey is JXQBJTFWRCNGQS-GXFFZTMASA-N. The full InChI is InChI=1S/C14H18BrN5O/c1-2-20-12(3-5-19-20)13-10(4-6-21-13)7-17-14-11(15)8-16-9-18-14/h3,5,8-10,13H,2,4,6-7H2,1H3,(H,16,17,18)/t10-,13+/m0/s1.
What are the key properties of 5-bromo-N-[[(2R,3S)-2-(2-ethylpyrazol-3-yl)oxolan-3-yl]methyl]pyrimidin-4-amine?
5-bromo-N-[[(2R,3S)-2-(2-ethylpyrazol-3-yl)oxolan-3-yl]methyl]pyrimidin-4-amine has a molecular weight of 352.24 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[[(2R,3S)-2-(2-ethylpyrazol-3-yl)oxolan-3-yl]methyl]pyrimidin-4-amine is sourced from PubChem (CID 129005887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).