5-bromo-2-chloro-N-[(2S)-1-methoxypropan-2-yl]pyrimidin-4-amine

C8H11BrClN3O — CID 58891402

IUPAC5-bromo-2-chloro-N-[(2S)-1-methoxypropan-2-yl]pyrimidin-4-amine
SMILESCOC[C@H](C)Nc1nc(Cl)ncc1Br
InChIInChI=1S/C8H11BrClN3O/c1-5(4-14-2)12-7-6(9)3-11-8(10)13-7/h3,5H,4H2,1-2H3,(H,11,12,13)/t5-/m0/s1
InChIKeyZFCWRGYQFGAQSQ-YFKPBYRVSA-N
MW280.55 g/mol
LogP2.34
Rot. Bonds4

About 5-bromo-2-chloro-N-[(2S)-1-methoxypropan-2-yl]pyrimidin-4-amine

5-bromo-2-chloro-N-[(2S)-1-methoxypropan-2-yl]pyrimidin-4-amine (PubChem CID 58891402) has the molecular formula C8H11BrClN3O and a molecular weight of 280.55 g/mol. Its IUPAC name is 5-bromo-2-chloro-N-[(2S)-1-methoxypropan-2-yl]pyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-2-chloro-N-[(2S)-1-methoxypropan-2-yl]pyrimidin-4-amine
PubChem CID58891402
Molecular FormulaC8H11BrClN3O
Molecular Weight280.55 g/mol
Exact Mass278.98
IUPAC Name5-bromo-2-chloro-N-[(2S)-1-methoxypropan-2-yl]pyrimidin-4-amine
SMILESCOC[C@H](C)Nc1nc(Cl)ncc1Br
InChIInChI=1S/C8H11BrClN3O/c1-5(4-14-2)12-7-6(9)3-11-8(10)13-7/h3,5H,4H2,1-2H3,(H,11,12,13)/t5-/m0/s1
InChIKeyZFCWRGYQFGAQSQ-YFKPBYRVSA-N
XLogP2.34
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.55
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloro-N-[(2S)-1-methoxypropan-2-yl]pyrimidin-4-amine?
The IUPAC name of 5-bromo-2-chloro-N-[(2S)-1-methoxypropan-2-yl]pyrimidin-4-amine (CID 58891402) is 5-bromo-2-chloro-N-[(2S)-1-methoxypropan-2-yl]pyrimidin-4-amine.
What is the SMILES notation for 5-bromo-2-chloro-N-[(2S)-1-methoxypropan-2-yl]pyrimidin-4-amine?
The canonical SMILES for 5-bromo-2-chloro-N-[(2S)-1-methoxypropan-2-yl]pyrimidin-4-amine is COC[C@H](C)Nc1nc(Cl)ncc1Br.
What is the InChIKey of 5-bromo-2-chloro-N-[(2S)-1-methoxypropan-2-yl]pyrimidin-4-amine?
The InChIKey is ZFCWRGYQFGAQSQ-YFKPBYRVSA-N. The full InChI is InChI=1S/C8H11BrClN3O/c1-5(4-14-2)12-7-6(9)3-11-8(10)13-7/h3,5H,4H2,1-2H3,(H,11,12,13)/t5-/m0/s1.
What are the key properties of 5-bromo-2-chloro-N-[(2S)-1-methoxypropan-2-yl]pyrimidin-4-amine?
5-bromo-2-chloro-N-[(2S)-1-methoxypropan-2-yl]pyrimidin-4-amine has a molecular weight of 280.55 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-chloro-N-[(2S)-1-methoxypropan-2-yl]pyrimidin-4-amine is sourced from PubChem (CID 58891402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).